2-(8-methoxy-2-methyl-4-oxo-1,4-dihydroquinolin-1-yl)-N-(3-methoxyphenyl)acetamide

• ChemBase编号: 193036
• 分子式: C20H20N2O4
• 平均质量: 352.3838
• 单一同位素质量: 352.14230713
• SMILES: n1(c2c(c(=O)cc1C)cccc2OC)CC(=O)Nc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)NC(=O)Cn1c(C)cc(=O)c2c1c(OC)ccc2
• InChI: InChI=1S/C20H20N2O4/c1-13-10-17(23)16-8-5-9-18(26-3)20(16)22(13)12-19(24)21-14-6-4-7-15(11-14)25-2/h4-11H,12H2,1-3H3,(H,21,24)
• InChIKey: FZYKMJNVTPNEOC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(8-methoxy-2-methyl-4-oxo-1,4-dihydroquinolin-1-yl)-N-(3-methoxyphenyl)acetamide
• IUPAC传统名: 2-(8-methoxy-2-methyl-4-oxoquinolin-1-yl)-N-(3-methoxyphenyl)acetamide

登记号

• PubChem SID: 164248946
• PubChem CID: 1426530

理论计算性质

• Acid pKa: 13.333852
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 2.5848777
• LogD (pH = 7.4): 2.5848773
• Log P: 2.5848777
• 摩尔折射率: 102.3609 cm^3
• 极化性: 37.426746 Å^3
• 极化表面积: 67.87 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