N-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)hexadecanamide

• ChemBase编号: 182733
• 分子式: C25H38N2O3
• 平均质量: 414.58082
• 单一同位素质量: 414.28824309
• SMILES: c1(c(c2c([nH]c1=O)cccc2)O)NC(=O)CCCCCCCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)Nc1c(=O)[nH]c2c(c1O)cccc2
• InChI: InChI=1S/C25H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-22(28)27-23-24(29)20-17-15-16-18-21(20)26-25(23)30/h15-18H,2-14,19H2,1H3,(H,27,28)(H2,26,29,30)
• InChIKey: UAJPPQYHAXPBMV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)hexadecanamide
• IUPAC传统名: N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)hexadecanamide

登记号

• PubChem SID: 164238643
• PubChem CID: 54704146

理论计算性质

• Acid pKa: 8.089949
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): 6.2572517
• LogD (pH = 7.4): 6.177799
• Log P: 6.258365
• 摩尔折射率: 124.6801 cm^3
• 极化性: 47.436527 Å^3
• 极化表面积: 78.43 Å^2
• 可自由旋转的化学键: 15
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds