N-{[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl}-N-(2-methoxyethyl)-2,2-diphenylacetamide

• ChemBase编号: 691737
• 分子式: C30H33N3O3
• 平均质量: 483.60132
• 单一同位素质量: 483.25219193
• SMILES: c1(c(nc2c(c1)ccc(c2)OC)N(C)C)CN(C(=O)C(c1ccccc1)c1ccccc1)CCOC
• Canonical SMILES: COCCN(C(=O)C(c1ccccc1)c1ccccc1)Cc1cc2ccc(cc2nc1N(C)C)OC
• InChI: InChI=1S/C30H33N3O3/c1-32(2)29-25(19-24-15-16-26(36-4)20-27(24)31-29)21-33(17-18-35-3)30(34)28(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-16,19-20,28H,17-18,21H2,1-4H3
• InChIKey: ZRYZSWNTQFDXIZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl}-N-(2-methoxyethyl)-2,2-diphenylacetamide
• IUPAC传统名: N-{[2-(dimethylamino)-7-methoxyquinolin-3-yl]methyl}-N-(2-methoxyethyl)-2,2-diphenylacetamide
• 别名: N-{[2-(dimethylamino)-7-methoxy-3-quinolinyl]methyl}-N-(2-methoxyethyl)-2,2-diphenylacetamide

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 4.752436
• LogD (pH = 7.4): 5.293686
• Log P: 5.308176
• 摩尔折射率: 144.4334 cm^3
• 极化性: 56.4467 Å^3
• 极化表面积: 54.9 Å^2
• 可自由旋转的化学键: 10
• 里宾斯基五规则: false

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 5.54
• LOG S: -4.25
• 极化表面积: 54.9 Å^2
• 可自由旋转的化学键: 7