ethyl 4-hydroxy-1-(2-methoxyethyl)-7-methyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate

• ChemBase编号: 53356
• 分子式: C15H18N2O5
• 平均质量: 306.31382
• 单一同位素质量: 306.12157169
• SMILES: c1c(nc2c(c1)c(O)c(c(=O)n2CCOC)C(=O)OCC)C
• Canonical SMILES: COCCn1c(=O)c(C(=O)OCC)c(c2c1nc(C)cc2)O
• InChI: InChI=1S/C15H18N2O5/c1-4-22-15(20)11-12(18)10-6-5-9(2)16-13(10)17(14(11)19)7-8-21-3/h5-6,18H,4,7-8H2,1-3H3
• InChIKey: RKGBUENNCVTCPB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 4-hydroxy-1-(2-methoxyethyl)-7-methyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate
• IUPAC传统名: ethyl 4-hydroxy-1-(2-methoxyethyl)-7-methyl-2-oxo-1,8-naphthyridine-3-carboxylate
• 别名: Ethyl 4-hydroxy-1-(2-methoxyethyl)-7-methyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate

登记号

• MDL号: MFCD17011927
• PubChem SID: 162058119
• PubChem CID: 54731418

理论计算性质

• Acid pKa: 5.1290827
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -0.04989229
• LogD (pH = 7.4): -1.6896094
• Log P: 0.4921197
• 摩尔折射率: 79.671 cm^3
• 极化性: 30.220089 Å^3
• 极化表面积: 88.96 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false

产品相关信息

• 纯度: 95%