ethyl 8-methoxy-4-(methylamino)quinoline-3-carboxylate

• ChemBase编号: 120037
• 分子式: C14H16N2O3
• 平均质量: 260.28844
• 单一同位素质量: 260.11609238
• SMILES: c1(c(c2c(nc1)c(OC)ccc2)NC)C(=O)OCC
• Canonical SMILES: CCOC(=O)c1cnc2c(c1NC)cccc2OC
• InChI: InChI=1S/C14H16N2O3/c1-4-19-14(17)10-8-16-13-9(12(10)15-2)6-5-7-11(13)18-3/h5-8H,4H2,1-3H3,(H,15,16)
• InChIKey: YXJOAUGPZDHFLX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 8-methoxy-4-(methylamino)quinoline-3-carboxylate
• IUPAC传统名: ethyl 8-methoxy-4-(methylamino)quinoline-3-carboxylate
• 别名: ethyl 8-methoxy-4-(methylamino)quinoline-3-carboxylate

登记号

• PubChem SID: 162214390
• PubChem CID: 45588942

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 2.3606005
• LogD (pH = 7.4): 2.4549308
• Log P: 2.4562922
• 摩尔折射率: 73.4102 cm^3
• 极化性: 28.702986 Å^3
• 极化表面积: 60.45 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true