uspto-grants-2002_11 · 10.6084/m9.figshare.5104873.v1 · US06479513B2
查看![3-(3-Chloro-phenyl)-6-[(6-chloro-pyridin-3-yl)-(4-methoxy-benzylamino)-(3-methyl-3H-imidazol-4-yl)-methyl]-1H-quinolin-2-one 分子结构式](/api/mol/86758596/svg/360x280.svg)
HCID86758596
3-(3-Chloro-phenyl)-6-[(6-chloro-pyridin-3-yl)-(4-methoxy-benzylamino)-(3-methyl-3H-imidazol-4-yl)-methyl]-1H-quinolin-2-one
3-(3-chlorophenyl)-6-[(6-chloro-3-pyridinyl)-[(4-methoxyphenyl)methylamino]-(3-methylimidazol-4-yl)methyl]-1H-quinolin-2-one
C33H27Cl2N5O2596.5 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1ccc(CNC(c2ccc(Cl)nc2)(c2ccc3[nH]c(=O)c(-c4cccc(Cl)c4)cc3c2)c2cncn2C)cc1
- InChIKey
- KJRLBPROLGEQEC-UHFFFAOYSA-N
- 分子式
- C33H27Cl2N5O2
- 平均分子量
- 596.5 g/mol
- 单同位素质量
- 595.1541805
COMPUTED
结构计算性质
- XLogP
- 5.6
- 极性表面积
- 81.1 Ų
- 氢键供体
- 2
- 氢键受体
- 5
- 可旋转键
- 8
- 重原子
- 42
- 形式电荷
- 0
- 复杂度
- 961
ALIASES
名称与别名
KJRLBPROLGEQEC-UHFFFAOYSA-N3-(3-Chloro-phenyl)-6-[(6-chloro-pyridin-3-yl)-(4-methoxy-benzylamino)-(3-methyl-3H-imidazol-4-yl)-methyl]-1H-quinolin-2-one
REACTIONS
参与反应