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

• ChemBase编号: 193910
• 分子式: C19H18N2O6
• 平均质量: 370.35602
• 单一同位素质量: 370.11648631
• SMILES: c1(c(c2c([nH]c1=O)cc(c(c2)OC)OC)O)C(=O)Nc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)NC(=O)c1c(=O)[nH]c2c(c1O)cc(c(c2)OC)OC
• InChI: InChI=1S/C19H18N2O6/c1-25-11-6-4-5-10(7-11)20-18(23)16-17(22)12-8-14(26-2)15(27-3)9-13(12)21-19(16)24/h4-9H,1-3H3,(H,20,23)(H2,21,22,24)
• InChIKey: LPLDJBPMIVUJJT-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164249820
• PubChem CID: 54682404

理论计算性质

• Acid pKa: 5.7491436
• 质子受体: 6
• 质子供体: 3
• LogD (pH = 5.5): 1.1984044
• LogD (pH = 7.4): -0.24045736
• Log P: 1.3921267
• 摩尔折射率: 100.9127 cm^3
• 极化性: 37.007465 Å^3
• 极化表面积: 106.12 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