2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-{2-[(2-methylquinolin-8-yl)oxy]ethyl}acetamide

• ChemBase编号: 374303
• 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)NCCOc1c2nc(ccc2ccc1)C)C)C
• Canonical SMILES: O=C(CC1N(C)C(=O)N(C1=O)C)NCCOc1cccc2c1nc(C)cc2
• InChI: InChI=1S/C19H22N4O4/c1-12-7-8-13-5-4-6-15(17(13)21-12)27-10-9-20-16(24)11-14-18(25)23(3)19(26)22(14)2/h4-8,14H,9-11H2,1-3H3,(H,20,24)
• InChIKey: UTMNZZVSDNBUCN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-{2-[(2-methylquinolin-8-yl)oxy]ethyl}acetamide
• IUPAC传统名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-{2-[(2-methylquinolin-8-yl)oxy]ethyl}acetamide
• 别名: 2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-{2-[(2-methylquinolin-8-yl)oxy]ethyl}acetamide

理论计算性质

JChem

• Acid pKa: 14.184727
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 0.26998994
• LogD (pH = 7.4): 0.27384245
• Log P: 0.27389187
• 摩尔折射率: 97.1527 cm^3
• 极化性: 38.871304 Å^3
• 极化表面积: 91.84 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 1
• Log P: -0.51
• LOG S: -2.77
• 极化表面积: 91.84 Å^2
• 可自由旋转的化学键: 6