79607-22-0 (6-氯-1,4-二氢-4-氧代喹啉-3-羧酸乙酯,Ethyl 6-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylate)

CAS号:
79607-22-0
中文名称:
6-氯-1,4-二氢-4-氧代喹啉-3-羧酸乙酯
英文名称:
Ethyl 6-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylate
分子式:
C12H10ClNO3
分子量:
251.665702342987

6-氯-1,4-二氢-4-氧代喹啉-3-羧酸乙酯(79607-22-0)名称与标识符

名称

中文别名:
6-氯-1,4-二氢-4-氧代-3-喹啉羧酸乙酯;6-氯-1,4-二氢-4-氧代喹啉-3-羧酸乙酯;
英文别名:
Ethyl 6-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylate;ethyl 6-chloro-1,4-dihydro-4-oxoquinoline-3-carboxylate;Ethyl 6-chloro-4-hydroxyquinoline-3-carboxylate;Ethyl 6-chloro-4-oxo-1,4-dihydro-3-quinolinecarboxylate;Ethyl-6-chloro-4-oxo-14-dihydroquinoline-3-carboxylate;2-Chloro-6-ethoxycarbonyl-pyridine;6-chloro-3-ethoxycarbonyl-4(1H)-quinolone;6-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl ester;6-chloro-p;6-chloropyridine-2-carboxylic acid ethyl ester;ACMC-209fib;AG-A-89878;AG-E-55406;ANW-24369;CTK4E6052;Ethyl 6-chloropicolinate;ethyl 6-chloro-pyridine-2-carboxylate;PubChem17513;6-Chloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid ethyl ester;A866636;70271-77-1;ethyl 6-chloro-4-hydroxy-3-quinolinecarboxylate;AB04303;SR-01000425944-1;Maybridge1_003209;BB 0222257;CS-0096374;AMY27059;79607-22-0;CHEMBL568918;SR-01000530466;CCG-105903;5J-026;SR-01000530466-1;AKOS002317051;SB71246;ethyl 6-chloro-4-hydroxy-3-quinoline-carboxylate;SCHEMBL10991178;SR-01000425944;6-chloro-4-hydroxyquinoline-3-carboxylic acid, ethyl ester;MFCD01847816;AB00100096-01;J-650143;ABZXBXREXPKTCN-UHFFFAOYSA-N;6-Chloro-4-hydroxyquinoline-3-carboxylic acid ethyl ester;SC4415;ethyl 6-chloro-4-oxo-1H-quinoline-3-carboxylate;DTXSID30990485;HMS1609F06;6-Chloro-4-hydroxy-quinoline-3-carboxylic acid ethyl ester;HMS550J19;6-CHLORO-4-HYDROXY-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER;Oprea1_373223;Oprea1_851756;FT-0641282;Oprea1_746353;Ethyl-6-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylate;SCHEMBL1366633;AKOS000605906;MFCD00173342;STK151296;Ethyl6-chloro-4-hydroxyquinoline-3-carboxylate;DB-055397;STK036738;BBL028327;DB-360537;

标识符

MDL:
MFCD01847816
InChIKey:
ABZXBXREXPKTCN-UHFFFAOYSA-N
Inchi:
1S/C12H10ClNO3/c1-2-17-12(16)9-6-14-10-4-3-7(13)5-8(10)11(9)15/h3-6H,2H2,1H3,(H,14,15)
SMILES:
O=C(C1C(=O)C2C(=CC=C(C=2)Cl)NC=1)OCC

6-氯-1,4-二氢-4-氧代喹啉-3-羧酸乙酯(79607-22-0)物化性质

实验特性

  • 密度 : 1.351

计算特性

  • 精确分子量 : 251.0349209g/mol
  • 氢键供体数量 : 1
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 3
  • 同位素质量 : 251.0349209g/mol
  • 重原子数量 : 17
  • 复杂度 : 367
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.6
  • 拓扑分子极性表面积 : 55.4Ų

6-氯-1,4-二氢-4-氧代喹啉-3-羧酸乙酯(79607-22-0)推荐厂家 更多厂家(9)

6-氯-1,4-二氢-4-氧代喹啉-3-羧酸乙酯(79607-22-0)合成路线

合成路线:1 步
反应条件:
参考文献:
Preparation of 4-quinolinone and 1,4-benzothiazine derivatives as sedatives and hypnotics
, China, , ,
合成路线:1 步
反应条件:
参考文献:
A green and efficient synthetic methodology towards the synthesis of 1-allyl-6-chloro-4-oxo-1,4-dihydroquinoline-3-carboxamide derivatives
Gill, Muhammad Shoaib Ali; Azzman, Nursyuhada; Hassan, Sharifah Syed; Shah, Syed Adnan Ali; Ahemad, Nafees, BMC Chemistry, 2022, 16(1),
合成路线:1 步
反应条件:
参考文献:
Synthesis and anti-HSV-1 activity of quinolonic acyclovir analogs
Lucero, Bianca d'A.; Gomes, Claudia Regina B.; Frugulhetti, Izabel Christina de P. P.; Faro, Leticia V.; Alvarenga, Lise; et al, Bioorganic & Medicinal Chemistry Letters, 2006, 16(4), 1010-1013
合成路线:1 步
反应条件:
参考文献:
Microwave assisted synthesis of ethyl quinolon-4-one-3-carboxylates and hydrolysis to quinolon-4-one-3-carboxylic acids
Malvacio, Ivana; Vera, D. Mariano A.; Moyano, Elizabeth L., Current Microwave Chemistry, 2014, 1(1), 52-58
合成路线:1 步
反应条件:
参考文献:
Synthesis and anti-HSV-1 Activity of 1,4-dihydro-4-oxoquinoline Ribonucleosides
Canuto, Carla Veronica B. dos S.; Gomes, Claudia R. B.; Marques, Isakelly P.; Faro, Leticia V.; Santos, Fernanda da Costa; et al, Letters in Drug Design & Discovery, 2007, 4(6), 404-409
合成路线:1 步
反应条件:
参考文献:
4-oxoquinoline-3-carboxamide acyclonucleoside phosphonates hybrids: Human MCF-7 breast cancer cell death induction by oxidative stress-promoting and in silico ADMET studies
Machado, Thayna R. ; Faro, Leticia V.; Mello, Angelica L. do Nascimento; Silva, David de O.; Abrahim-Vieira, Barbara de A.; et al, Journal of Molecular Structure, 2023, 1276,
合成路线:1 步
反应条件:
参考文献:
Synthesis, cytotoxicity and mechanistic evaluation of 4-oxoquinoline-3-carboxamide derivatives: finding new potential anticancer drugs
Forezi, Luana da S. M.; Tolentino, Nathalia M. C.; de Souza, Alessandra M. T.; Castro, Helena C.; Montenegro, Raquel C.; et al, Molecules, 2014, 19(5), 6651-6670
合成路线:1 步
反应条件:
参考文献:
Design, synthesis and 2D QSAR study of novel pyridine and quinolone hydrazone derivatives as potential antimicrobial and antitubercular agents
Abdelrahman, Mohamed A.; Salama, Ismail; Gomaa, Mohamed S.; Elaasser, Mahmoud M.; Abdel-Aziz, Marwa M.; et al, European Journal of Medicinal Chemistry, 2017, 138, 698-714
合成路线:1 步
反应条件:
参考文献:
Pharmacomodulations around the 4-Oxo-1,4-dihydroquinoline-3-carboxamides, a Class of Potent CB2-Selective Cannabinoid Receptor Ligands: Consequences in Receptor Affinity and Functionality
Stern, Eric; Muccioli, Giulio G.; Bosier, Barbara; Hamtiaux, Laurie; Millet, Regis; et al, Journal of Medicinal Chemistry, 2007, 50(22), 5471-5484
合成路线:1 步
参考文献:
Microwave assisted Gould-Jacob reaction: Synthesis of 4-quinolones under solvent free conditions
Dave, Chaitanya G.; Joshipura, Hardik M., Indian Journal of Chemistry, 2002, (3), 650-652
合成路线:1 步
反应条件:
参考文献:
Three-Component One-Pot Approach to Highly Efficient and Sustainable Synthesis of the Functionalized Quinolones via Linear/Branched Domino Protocols, Key Synthetic Methods for the Floxacin of Quinolone Drugs
Bai, Hairui; Liu, Fujun; Wang, Xiaojing; Wang, Ping; Huang, Chao, ACS Omega, 2018, 3(9), 11233-11251
合成路线:1 步
反应条件:
参考文献:
Quinolone-N-acylhydrazone hybrids as potent Zika and Chikungunya virus inhibitors
Marra, Roberta K. F.; Kummerle, Arthur E.; Guedes, Guilherme P.; Barros, Caroline de S.; Gomes, Rafaela S. P.; et al, Bioorganic & Medicinal Chemistry Letters, 2020, 30(2),
合成路线:1 步
反应条件:
参考文献:
Conjugate Addition Routes to 2-Alkyl-2,3-dihydroquinolin-4(1H)-ones and 2-Alkyl-4-hydroxy-1,2-dihydroquinoline-3-carboxylates
Kingsbury, Alex; Brough, Steve; McCarthy, Antonio Pedrina; Lewis, William; Woodward, Simon, European Journal of Inorganic Chemistry, 2020, 2020(11-12), 1011-1017
合成路线:1 步
反应条件:
参考文献:
3-(Benzo[d]thiazol-2-yl)-4-aminoquinoline derivatives as novel scaffold topoisomerase I inhibitor via DNA intercalation: design, synthesis, and antitumor activities
Yuan, Jing-Mei; Chen, Nan-Ying; Liao, Hao-Ran; Zhang, Guo-Hai; Li, Xiao-Juan; et al, New Journal of Chemistry, 2020, 44(26), 11203-11214