methyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate

• ChemBase编号: 192624
• 分子式: C19H17NO3
• 平均质量: 307.34318
• 单一同位素质量: 307.12084341
• SMILES: c1(c2c(nc(c1)c1ccc(cc1)OC)ccc(c2)C)C(=O)OC
• Canonical SMILES: COC(=O)c1cc(nc2c1cc(C)cc2)c1ccc(cc1)OC
• InChI: InChI=1S/C19H17NO3/c1-12-4-9-17-15(10-12)16(19(21)23-3)11-18(20-17)13-5-7-14(22-2)8-6-13/h4-11H,1-3H3
• InChIKey: RZHNCJWJYJDSPL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
• IUPAC传统名: methyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate

登记号

• PubChem SID: 164248534
• PubChem CID: 698713

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.522832
• LogD (pH = 7.4): 4.5231986
• Log P: 4.5232034
• 摩尔折射率: 88.2732 cm^3
• 极化性: 36.66322 Å^3
• 极化表面积: 48.42 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