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

• ChemBase编号: 223015
• 分子式: C15H18N2O4
• 平均质量: 290.31442
• 单一同位素质量: 290.12665707
• SMILES: c12c(=O)n(ccc1nc(c(c2)C(=O)OC)C)CCCOC
• Canonical SMILES: COCCCn1ccc2c(c1=O)cc(c(n2)C)C(=O)OC
• InChI: InChI=1S/C15H18N2O4/c1-10-11(15(19)21-3)9-12-13(16-10)5-7-17(14(12)18)6-4-8-20-2/h5,7,9H,4,6,8H2,1-3H3
• InChIKey: WUAWINFBVPTSJY-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164278925
• PubChem CID: 43864519

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.7111165
• LogD (pH = 7.4): 0.71171814
• Log P: 0.71172583
• 摩尔折射率: 78.2542 cm^3
• 极化性: 29.345686 Å^3
• 极化表面积: 68.73 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