N-(2-carbamoylphenyl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide

• ChemBase编号: 182574
• 分子式: C17H13N3O4
• 平均质量: 323.30282
• 单一同位素质量: 323.09060591
• SMILES: c1(c(c2c([nH]c1=O)cccc2)O)C(=O)Nc1c(C(=O)N)cccc1
• Canonical SMILES: NC(=O)c1ccccc1NC(=O)c1c(=O)[nH]c2c(c1O)cccc2
• InChI: InChI=1S/C17H13N3O4/c18-15(22)10-6-2-4-8-12(10)20-17(24)13-14(21)9-5-1-3-7-11(9)19-16(13)23/h1-8H,(H2,18,22)(H,20,24)(H2,19,21,23)
• InChIKey: CSNVHINRSBGWKF-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164238484
• PubChem CID: 54676442

理论计算性质

• Acid pKa: 5.794781
• 质子受体: 4
• 质子供体: 4
• LogD (pH = 5.5): 1.1879226
• LogD (pH = 7.4): -0.22492641
• Log P: 1.3657807
• 摩尔折射率: 90.6015 cm^3
• 极化性: 32.269367 Å^3
• 极化表面积: 121.52 Å^2
• 可自由旋转的化学键: 3
• 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