40516-39-0 (4-Hydroxy-8-trifluoromethoxyquinoline-3-carboxylic acid ethyl ester,4-hydroxy-8-trifluoromethoxyquinoline-3-carboxylic Acid Ethyl Ester)

CAS号:
40516-39-0
中文名称:
4-Hydroxy-8-trifluoromethoxyquinoline-3-carboxylic acid ethyl ester
英文名称:
4-hydroxy-8-trifluoromethoxyquinoline-3-carboxylic Acid Ethyl Ester
分子式:
C13H10F3NO4
分子量:
301.218014240265

4-Hydroxy-8-trifluoromethoxyquinoline-3-carboxylic acid ethyl ester(40516-39-0)名称与标识符

名称

中文别名:
4-Hydroxy-8-trifluoromethoxyquinoline-3-carboxylic acid ethyl ester;
英文别名:
4-hydroxy-8-trifluoromethoxyquinoline-3-carboxylic Acid Ethyl Ester;40516-39-0;DTXSID60371905;3-Quinolinecarboxylicacid,1,4-dihydro-4-oxo-8-(trifluoromethoxy)-,ethyl ester;MVLDLMQMSHLPLH-UHFFFAOYSA-N;ETHYL 4-OXO-8-(TRIFLUOROMETHOXY)-1,4-DIHYDROQUINOLINE-3-CARBOXYLATE;ethyl 4-oxidanylidene-8-(trifluoromethyloxy)-1H-quinoline-3-carboxylate;175278-35-0;ethyl 4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxylate;SR-01000631900-1;Maybridge1_000173;Ethyl 4-hydroxy-8-(trifluoromethoxy)quinoline-3-carboxylate;MixCom1_000327;CS-0080648;MFCD00221480;ETHYL 1,4-DIHYDRO-8-(TRIFLUOROMETHOXY)-4-OXOQUINOLINE-3-CARBOXYLATE;A812056;Ethyl 4-hydroxy-8-(trifluoromethoxy)-quinoline-3-carboxylate;SB73051;4-Hydroxy-8-(trifluoromethoxy)quinoline-3-carboxylic acid ethyl ester;DB-044205;3-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-8-(trifluoromethoxy)-, ethyl ester;SCHEMBL8132372;1,4-Dihydro-4-Oxo-8-(Trifluoromethoxy)-3-Quinolinecarboxylic Acid Ethyl Ester;PS-7128;F10474;4-oxo-8-(trifluoromethoxy)-1H-quinoline-3-carboxylic acid ethyl ester;CCG-41853;MFCD03407891;AKOS015897021;Ethyl 4-hydroxy-8-(trifluoromethoxy)-3-quinolinecarboxylate;AKOS025312521;

标识符

MDL:
MFCD00221480
InChIKey:
MVLDLMQMSHLPLH-UHFFFAOYSA-N
Inchi:
1S/C13H10F3NO4/c1-2-20-12(19)8-6-17-10-7(11(8)18)4-3-5-9(10)21-13(14,15)16/h3-6H,2H2,1H3,(H,17,18)
SMILES:
FC(OC1=CC=CC2C(C(C(=O)OCC)=CNC=21)=O)(F)F

4-Hydroxy-8-trifluoromethoxyquinoline-3-carboxylic acid ethyl ester(40516-39-0)物化性质

实验特性

  • LogP : 3.01570
  • PSA : 68.65000

计算特性

  • 精确分子量 : 301.05600
  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 5
  • 同位素质量 : 301.05619229g/mol
  • 重原子数量 : 21
  • 复杂度 : 461
  • 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) : 3.2
  • 拓扑分子极性表面积 : 64.6Ų