反应SMILES:Cc1ccc(-c2ccc3nc(C)c(C(=O)O)cc3c2)cc1
HCID22990203

6-(4-Methylphenyl)-2-methylquinoline-3-carboxylic acid

2-methyl-6-(4-methylphenyl)quinoline-3-carboxylic acid

C18H15NO2277.3 g/molCAS 229008-26-8

IDENTITY

结构与身份

标准SMILES
Cc1ccc(-c2ccc3nc(C)c(C(=O)O)cc3c2)cc1
InChIKey
FPTCGGOCUIRGIO-UHFFFAOYSA-N
分子式
C18H15NO2
平均分子量
277.3 g/mol
单同位素质量
277.11027872

COMPUTED

结构计算性质

已同步
XLogP
4.1
极性表面积
50.2 Ų
氢键供体
1
氢键受体
3
可旋转键
2
重原子
21
形式电荷
0
复杂度
375

ALIASES

名称与别名

共 13 条
229008-26-8MFCD307258322-Methyl-6-p-tolyl-quinoline-3-carboxylic acid6-(4-methylphenyl)-2-methylquinoline-3-carboxylic acid2-methyl-6-(4-methylphenyl)-3-quinolinecarboxylic acid2-methyl-6-(4-methylphenyl)quinoline-3-carboxylic acid2-Methyl-6-(p-tolyl)quinoline-3-carboxylic acidSCHEMBL3498365FPTCGGOCUIRGIO-UHFFFAOYSA-NDTXSID201207702F5215492-methyl-6-(4-methylphenyl)-quinoline-3-carboxylic acid6-(4-methylphenyl) -2-methylquinoline-3-carboxylic acid

REACTIONS

参与反应

7
HRID565970

uspto-grants-2001_01

作为反应物
HRID 565970 方程式

uspto-grants-2001_01 · 10.6084/m9.figshare.5104873.v1 · US06172061B2

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HRID700756

Training data from https://doi.org/10.1039/C8SC04228D (3/10)

作为反应物
HRID 700756 方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID1169420

uspto-grants-2003_09

作为反应物
HRID 1169420 方程式

uspto-grants-2003_09 · 10.6084/m9.figshare.5104873.v1 · US06627651B1

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HRID1277146

uspto-grants-2000_12

作为反应物
HRID 1277146 方程式

uspto-grants-2000_12 · 10.6084/m9.figshare.5104873.v1 · US06166006

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HRID1387901

uspto-grants-2001_07

作为反应物
HRID 1387901 方程式

uspto-grants-2001_07 · 10.6084/m9.figshare.5104873.v1 · US06268354B1

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HRID2152063

Training data from https://doi.org/10.1039/C8SC04228D (4/10)

作为反应物
HRID 2152063 方程式

Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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HRID2228163

uspto-grants-2002_07

作为反应物
HRID 2228163 方程式

uspto-grants-2002_07 · 10.6084/m9.figshare.5104873.v1 · US06413947B1

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