4-hydroxy-6,7-dimethoxy-N-(2-methylpropyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide

• ChemBase编号: 194588
• 分子式: C16H20N2O5
• 平均质量: 320.3404
• 单一同位素质量: 320.13722175
• SMILES: c1(c(c2c([nH]c1=O)cc(c(c2)OC)OC)O)C(=O)NCC(C)C
• Canonical SMILES: COc1cc2c(cc1OC)[nH]c(=O)c(c2O)C(=O)NCC(C)C
• InChI: InChI=1S/C16H20N2O5/c1-8(2)7-17-15(20)13-14(19)9-5-11(22-3)12(23-4)6-10(9)18-16(13)21/h5-6,8H,7H2,1-4H3,(H,17,20)(H2,18,19,21)
• InChIKey: RFYGNDVQIGPQQV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-hydroxy-6,7-dimethoxy-N-(2-methylpropyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
• IUPAC传统名: 4-hydroxy-6,7-dimethoxy-N-(2-methylpropyl)-2-oxo-1H-quinoline-3-carboxamide

登记号

• PubChem SID: 164250498
• PubChem CID: 54682441

理论计算性质

• Acid pKa: 6.254844
• 质子受体: 5
• 质子供体: 3
• LogD (pH = 5.5): 0.7062824
• LogD (pH = 7.4): -0.38976908
• Log P: 0.77653265
• 摩尔折射率: 86.6353 cm^3
• 极化性: 32.27225 Å^3
• 极化表面积: 96.89 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds