ethyl 4-(dimethylamino)quinoline-3-carboxylate

• ChemBase编号: 124025
• 分子式: C14H16N2O2
• 平均质量: 244.28904
• 单一同位素质量: 244.12117776
• SMILES: c1(c(c2c(nc1)cccc2)N(C)C)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cnc2c(c1N(C)C)cccc2
• InChI: InChI=1S/C14H16N2O2/c1-4-18-14(17)11-9-15-12-8-6-5-7-10(12)13(11)16(2)3/h5-9H,4H2,1-3H3
• InChIKey: YDUVHEKZYACIHR-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 162218378
• PubChem CID: 43826504

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.7099324
• LogD (pH = 7.4): 2.5482395
• Log P: 2.5992293
• 摩尔折射率: 71.1818 cm^3
• 极化性: 28.033504 Å^3
• 极化表面积: 42.43 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true