methyl 6-(2-methoxyethyl)-2-methyl-5-oxo-5,6-dihydro-1,6-naphthyridine-3-carboxylate

• ChemBase编号: 223129
• 分子式: C14H16N2O4
• 平均质量: 276.28784
• 单一同位素质量: 276.111007
• SMILES: c12c(=O)n(ccc1nc(c(c2)C(=O)OC)C)CCOC
• Canonical SMILES: COCCn1ccc2c(c1=O)cc(c(n2)C)C(=O)OC
• InChI: InChI=1S/C14H16N2O4/c1-9-10(14(18)20-3)8-11-12(15-9)4-5-16(13(11)17)6-7-19-2/h4-5,8H,6-7H2,1-3H3
• InChIKey: ICHSJECIPAQQBZ-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164279039
• PubChem CID: 20855188

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.6511582
• LogD (pH = 7.4): 0.65175843
• Log P: 0.6517661
• 摩尔折射率: 73.3888 cm^3
• 极化性: 27.514944 Å^3
• 极化表面积: 68.73 Å^2
• 可自由旋转的化学键: 5
• 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