338992-20-4 (4-[[[4-[(4-溴-2-氟苯基)氨基]-6-甲氧基-7-喹唑啉基]氧基]甲基]-1-哌啶羧酸叔丁酯,tert-Butyl 4-(((4-((4-bromo-2-fluorophenyl)amino)-6-methoxyquinazolin-7-yl)oxy)methyl)piperidine-1-carboxylate)

CAS号:
338992-20-4
中文名称:
4-[[[4-[(4-溴-2-氟苯基)氨基]-6-甲氧基-7-喹唑啉基]氧基]甲基]-1-哌啶羧酸叔丁酯
英文名称:
tert-Butyl 4-(((4-((4-bromo-2-fluorophenyl)amino)-6-methoxyquinazolin-7-yl)oxy)methyl)piperidine-1-carboxylate
分子式:
C26H30BrFN4O4
分子量:
561.443209171295

4-[[[4-[(4-溴-2-氟苯基)氨基]-6-甲氧基-7-喹唑啉基]氧基]甲基]-1-哌啶羧酸叔丁酯(338992-20-4)名称与标识符

名称

中文别名:
4-[[[4-[(4-溴-2-氟苯基)氨基]-6-甲氧基-7-喹唑啉基]氧基]甲基]-1-哌啶羧酸叔丁酯;4-((4-(4-溴-2-氟苯基氨基)-6-甲氧基喹唑啉-7-基氧基)甲基)哌啶-1-羧酸叔丁酯;
英文别名:
tert-Butyl 4-(((4-((4-bromo-2-fluorophenyl)amino)-6-methoxyquinazolin-7-yl)oxy)methyl)piperidine-1-carboxylate;1-PIPERIDINECARBOXYLIC ACID, 4-[[[4-[(4-BROMO-2-FLUOROPHENYL)AMINO]-6-METHOXY-7-QUINAZOLINYL]OXY]METHYL]-, 1,1-DIMETHYL...;tert-butyl 4-[({4-[(4-bromo-2-fluorophenyl)amino]-6-methoxyquinazolin-7-yl}oxy)methyl]piperidine-1-carboxylate;QC-1063;tert-Butyl 4-({[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy}methyl)piperidine-1-carboxylate;CS-0005645;4-(4-bromo-2-fluoroanilino)-7-(1-(tert-butoxycarbonyl)piperidin-4-ylmethoxy)-6-methoxyquinazoline;DB-371898;tert-butyl 4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carboxylate;DTXSID50453264;338992-20-4;AC-25041;DJQLEEANCWENKG-UHFFFAOYSA-N;4-(4-bromo-2-fluoroanilino)-7-(1-(tertbutoxycarbonyl)piperidin-4-ylmethoxy)-6-methoxyquinazoline;AKOS016011495;4-[[[4-[(4-BROMO-2-FLUOROPHENYL)AMINO]-6-METHOXY-7-QUINAZOLINYL]OXY]METHYL]-1-PIPERIDINECARBOXYLIC ACID TERT-BUTYL ESTER;SCHEMBL1614506;4(4-bromo-2-fluoroanilino)7-(1-(tert-butoxycarbonyl)piperidin-4-ylmethoxy)-6-methoxyquinazoline;CID 11049999;tert-Butyl4-(((4-((4-bromo-2-fluorophenyl)amino)-6-methoxyquinazolin-7-yl)oxy)methyl)piperidine-1-carboxylate;tert-butyl 4-((4-(4-bromo-2-fluorophenylamino)-6-methoxyquinazolin-7-yloxy)methyl)piperidine-1-carboxylate;4-[[[4-[(4-bromo-2-fluorophenyl)amino]-6-methoxy-7-quinazolinyl]oxy]methyl]-1-Piperidinecarboxylic acid 1,1-dimethylethyl ester;

标识符

MDL:
MFCD19440849
InChIKey:
DJQLEEANCWENKG-UHFFFAOYSA-N
Inchi:
1S/C26H30BrFN4O4/c1-26(2,3)36-25(33)32-9-7-16(8-10-32)14-35-23-13-21-18(12-22(23)34-4)24(30-15-29-21)31-20-6-5-17(27)11-19(20)28/h5-6,11-13,15-16H,7-10,14H2,1-4H3,(H,29,30,31)
SMILES:
BrC1C=CC(=C(C=1)F)NC1=C2C=C(C(=CC2=NC=N1)OCC1CCN(C(=O)OC(C)(C)C)CC1)OC

4-[[[4-[(4-溴-2-氟苯基)氨基]-6-甲氧基-7-喹唑啉基]氧基]甲基]-1-哌啶羧酸叔丁酯(338992-20-4)物化性质

实验特性

  • LogP : 6.32040
  • PSA : 85.81000
  • 沸点 : 352.38°C at 760 mmHg
  • 密度 : 1.385

计算特性

  • 精确分子量 : 560.14300
  • 氢键供体数量 : 1
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 9
  • 同位素质量 : 560.14345g/mol
  • 重原子数量 : 36
  • 复杂度 : 721
  • 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) : 5.8
  • 拓扑分子极性表面积 : 85.8Ų

4-[[[4-[(4-溴-2-氟苯基)氨基]-6-甲氧基-7-喹唑啉基]氧基]甲基]-1-哌啶羧酸叔丁酯(338992-20-4)安全信息

4-[[[4-[(4-溴-2-氟苯基)氨基]-6-甲氧基-7-喹唑啉基]氧基]甲基]-1-哌啶羧酸叔丁酯(338992-20-4)推荐厂家 更多厂家(9)