3-methoxy-N-(8-methoxy-2-methylquinolin-4-yl)benzamide

• ChemBase编号: 220947
• 分子式: C19H18N2O3
• 平均质量: 322.35782
• 单一同位素质量: 322.13174245
• SMILES: c1(c2c(nc(c1)C)c(OC)ccc2)NC(=O)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)C(=O)Nc1cc(C)nc2c1cccc2OC
• InChI: InChI=1S/C19H18N2O3/c1-12-10-16(15-8-5-9-17(24-3)18(15)20-12)21-19(22)13-6-4-7-14(11-13)23-2/h4-11H,1-3H3,(H,20,21,22)
• InChIKey: YLNMRTUTZUCWAH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-methoxy-N-(8-methoxy-2-methylquinolin-4-yl)benzamide
• IUPAC传统名: 3-methoxy-N-(8-methoxy-2-methylquinolin-4-yl)benzamide

登记号

• PubChem SID: 164276857
• PubChem CID: 24220820

理论计算性质

• Acid pKa: 10.514256
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 3.0259438
• LogD (pH = 7.4): 3.0382867
• Log P: 3.0388129
• 摩尔折射率: 93.0307 cm^3
• 极化性: 36.360935 Å^3
• 极化表面积: 60.45 Å^2
• 可自由旋转的化学键: 4
• 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