uspto-grants-2005_04 · 10.6084/m9.figshare.5104873.v1 · US06878705B2
查看![N-(4-Chlorobenzyl)-2-(((2-hydroxy-2-quinolin-2-ylethyl)(methyl)amino)methyl)-7-methyl-4-oxo-4,7-dihydrofuro[2,3-b]pyridine-5-carboxamide 分子结构式](/api/mol/10289493/svg/360x280.svg)
HCID10289493
N-(4-Chlorobenzyl)-2-(((2-hydroxy-2-quinolin-2-ylethyl)(methyl)amino)methyl)-7-methyl-4-oxo-4,7-dihydrofuro[2,3-b]pyridine-5-carboxamide
N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-quinolin-2-ylethyl)-methylamino]methyl]-7-methyl-4-oxofuro[2,3-b]pyridine-5-carboxamide
C29H27ClN4O4531 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CN(Cc1cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c2o1)CC(O)c1ccc2ccccc2n1
- InChIKey
- FJOHQQUHRRCXOA-UHFFFAOYSA-N
- 分子式
- C29H27ClN4O4
- 平均分子量
- 531 g/mol
- 单同位素质量
- 530.172083
COMPUTED
结构计算性质
- XLogP
- 4.3
- 极性表面积
- 98.9 Ų
- 氢键供体
- 2
- 氢键受体
- 7
- 可旋转键
- 8
- 重原子
- 38
- 形式电荷
- 0
- 复杂度
- 879
ALIASES
名称与别名
SCHEMBL6282404FJOHQQUHRRCXOA-UHFFFAOYSA-NN-(4-Chlorobenzyl)-2-(((2-hydroxy-2-quinolin-2-ylethyl)(methyl)amino)methyl)-7-methyl-4-oxo-4,7-dihydrofuro[2,3-b]pyridine-5-carboxamide
REACTIONS
参与反应