huagongshe.com
6-methoxy-1-methyl-7-[(2-phenyl-piperidin-3-yl-amino)-methyl]-3,4-dihydro-1H-quinolin-2-one 分子结构式
HCID10199731

6-methoxy-1-methyl-7-[(2-phenyl-piperidin-3-yl-amino)-methyl]-3,4-dihydro-1H-quinolin-2-one

6-methoxy-1-methyl-7-[[(2-phenylpiperidin-3-yl)amino]methyl]-3,4-dihydroquinolin-2-one

C23H29N3O2379.5 g/mol
查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES
COc1cc2c(cc1CNC1CCCNC1c1ccccc1)N(C)C(=O)CC2
InChIKey
CGVFPUYVFBJOCY-UHFFFAOYSA-N
分子式
C23H29N3O2
平均分子量
379.5 g/mol
单同位素质量
379.22597718

COMPUTED

结构计算性质

已同步
XLogP
2.2
极性表面积
53.6 Ų
氢键供体
2
氢键受体
4
可旋转键
5
重原子
28
形式电荷
0
复杂度
522

ALIASES

名称与别名

共 4 条
SCHEMBL6073516CGVFPUYVFBJOCY-UHFFFAOYSA-NL0160726-methoxy-1-methyl-7-[(2-phenyl-piperidin-3-yl-amino)-methyl]-3,4-dihydro-1H-quinolin-2-one

REACTIONS

参与反应

5 条
HRID 806350 反应方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看
HRID 934770 反应方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看
HRID 1211198 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

查看
HRID 1214604 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

查看
HRID 2328502 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (10/10) · 10.1039/C8SC04228D

查看