N-(6-methoxyquinolin-8-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide

• ChemBase编号: 410543
• 分子式: C19H22N4O4
• 平均质量: 370.40238
• 单一同位素质量: 370.1641052
• SMILES: C(=O)(N1CCC(N2C(=O)OCC2)CC1)Nc1c2c(cc(c1)OC)cccn2
• Canonical SMILES: COc1cc(NC(=O)N2CCC(CC2)N2CCOC2=O)c2c(c1)cccn2
• InChI: InChI=1S/C19H22N4O4/c1-26-15-11-13-3-2-6-20-17(13)16(12-15)21-18(24)22-7-4-14(5-8-22)23-9-10-27-19(23)25/h2-3,6,11-12,14H,4-5,7-10H2,1H3,(H,21,24)
• InChIKey: LGGZETCHWYHAHW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(6-methoxyquinolin-8-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
• IUPAC传统名: N-(6-methoxyquinolin-8-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide
• 别名: N-(6-methoxyquinolin-8-yl)-4-(2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxamide

理论计算性质

JChem

• Acid pKa: 11.562577
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 1.0217932
• LogD (pH = 7.4): 1.0261284
• Log P: 1.0262128
• 摩尔折射率: 99.1525 cm^3
• 极化性: 38.826138 Å^3
• 极化表面积: 84.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 1
• Log P: 2.38
• LOG S: -3.93
• 极化表面积: 84.0 Å^2
• 可自由旋转的化学键: 3