2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide

• ChemBase编号: 590911
• 分子式: C19H22N4O4
• 平均质量: 370.40238
• 单一同位素质量: 370.1641052
• SMILES: N1(C(=O)N(C(C1=O)CC(=O)N(Cc1c2c(nccc2)c(cc1)OC)C)C)C
• Canonical SMILES: COc1ccc(c2c1nccc2)CN(C(=O)CC1N(C)C(=O)N(C1=O)C)C
• InChI: InChI=1S/C19H22N4O4/c1-21(16(24)10-14-18(25)23(3)19(26)22(14)2)11-12-7-8-15(27-4)17-13(12)6-5-9-20-17/h5-9,14H,10-11H2,1-4H3
• InChIKey: RBXKHDKEAMQOGJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide
• IUPAC传统名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(8-methoxyquinolin-5-yl)methyl]-N-methylacetamide
• 别名: 2-(1,3-dimethyl-2,5-dioxo-4-imidazolidinyl)-N-[(8-methoxy-5-quinolinyl)methyl]-N-methylacetamide

理论计算性质

JChem

• Acid pKa: 14.183039
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 0.28851464
• LogD (pH = 7.4): 0.28894445
• Log P: 0.28895003
• 摩尔折射率: 97.9815 cm^3
• 极化性: 38.94467 Å^3
• 极化表面积: 83.05 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: -0.89
• LOG S: -2.45
• 极化表面积: 83.05 Å^2
• 可自由旋转的化学键: 5