methyl 6-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylate

• ChemBase编号: 222900
• 分子式: C20H20N2O5
• 平均质量: 368.3832
• 单一同位素质量: 368.13722175
• SMILES: c12c(=O)n(ccc1nc(c(c2)C(=O)OC)C)Cc1cc(c(cc1)OC)OC
• Canonical SMILES: COC(=O)c1cc2c(nc1C)ccn(c2=O)Cc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C20H20N2O5/c1-12-14(20(24)27-4)10-15-16(21-12)7-8-22(19(15)23)11-13-5-6-17(25-2)18(9-13)26-3/h5-10H,11H2,1-4H3
• InChIKey: VGGYCCBDGLYMHM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 6-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylate
• IUPAC传统名: methyl 6-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate

登记号

• PubChem SID: 164278810
• PubChem CID: 43864531

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 2.107267
• LogD (pH = 7.4): 2.1078646
• Log P: 2.1078722
• 摩尔折射率: 99.8843 cm^3
• 极化性: 37.74197 Å^3
• 极化表面积: 77.96 Å^2
• 可自由旋转的化学键: 6
• 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