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

• ChemBase ID: 182733
• Molecular Formular: C25H38N2O3
• Molecular Mass: 414.58082
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)hexadecanamide
• IUPAC Traditional name: N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)hexadecanamide

Database IDs

• PubChem SID: 164238643
• PubChem CID: 54704146

CALCULATED PROPERTIES

• Acid pKa: 8.089949
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 6.2572517
• LogD (pH = 7.4): 6.177799
• Log P: 6.258365
• Molar Refractivity: 124.6801 cm^3
• Polarizability: 47.436527 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds