ethyl 4-(dimethylamino)-8-methoxyquinoline-3-carboxylate

• ChemBase编号: 123218
• 分子式: C15H18N2O3
• 平均质量: 274.31502
• 单一同位素质量: 274.13174245
• SMILES: c1(c(c2c(nc1)c(OC)ccc2)N(C)C)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cnc2c(c1N(C)C)cccc2OC
• InChI: InChI=1S/C15H18N2O3/c1-5-20-15(18)11-9-16-13-10(14(11)17(2)3)7-6-8-12(13)19-4/h6-9H,5H2,1-4H3
• InChIKey: NODYUZRYQIMUNU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 4-(dimethylamino)-8-methoxyquinoline-3-carboxylate
• IUPAC传统名: ethyl 4-(dimethylamino)-8-methoxyquinoline-3-carboxylate
• 别名: ethyl 4-(dimethylamino)-8-methoxyquinoline-3-carboxylate

登记号

• PubChem SID: 162217571
• PubChem CID: 33730644

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.3610408
• LogD (pH = 7.4): 2.440435
• Log P: 2.441558
• 摩尔折射率: 77.645 cm^3
• 极化性: 30.545073 Å^3
• 极化表面积: 51.66 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true