2-[(1,6-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)oxy]-N-(7-methoxyquinolin-3-yl)acetamide

• ChemBase编号: 226858
• 分子式: C19H19N3O4
• 平均质量: 353.37186
• 单一同位素质量: 353.1375561
• SMILES: c1(cn(c(cc1=O)C)C)OCC(=O)Nc1cc2c(nc1)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)ncc(c2)NC(=O)COc1cn(C)c(cc1=O)C
• InChI: InChI=1S/C19H19N3O4/c1-12-6-17(23)18(10-22(12)2)26-11-19(24)21-14-7-13-4-5-15(25-3)8-16(13)20-9-14/h4-10H,11H2,1-3H3,(H,21,24)
• InChIKey: PQJGWYSNIAVSTH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(1,6-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)oxy]-N-(7-methoxyquinolin-3-yl)acetamide
• IUPAC传统名: 2-[(1,6-dimethyl-4-oxopyridin-3-yl)oxy]-N-(7-methoxyquinolin-3-yl)acetamide

登记号

• PubChem SID: 164282768
• PubChem CID: 71754006

理论计算性质

• Acid pKa: 11.983806
• 质子受体: 6
• 质子供体: 1
• LogD (pH = 5.5): 1.6248813
• LogD (pH = 7.4): 1.6369762
• Log P: 1.637144
• 摩尔折射率: 100.1952 cm^3
• 极化性: 37.916798 Å^3
• 极化表面积: 80.76 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