4-hydroxy-N-(2-methylpropyl)-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

• ChemBase ID: 192445
• Molecular Formular: C14H20N2O3
• Molecular Mass: 264.3202
• Monoisotopic Mass: 264.14739251
• SMILES: c1(c(c2c([nH]c1=O)CCCC2)O)C(=O)NCC(C)C
• Canonical SMILES: CC(CNC(=O)c1c(=O)[nH]c2c(c1O)CCCC2)C
• InChI: InChI=1S/C14H20N2O3/c1-8(2)7-15-13(18)11-12(17)9-5-3-4-6-10(9)16-14(11)19/h8H,3-7H2,1-2H3,(H,15,18)(H2,16,17,19)
• InChIKey: FULUJEMBOGLPOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydroxy-N-(2-methylpropyl)-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
• IUPAC Traditional name: 4-hydroxy-N-(2-methylpropyl)-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Database IDs

• PubChem SID: 164248355
• PubChem CID: 54676145

CALCULATED PROPERTIES

• Acid pKa: 7.958488
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.8134129
• LogD (pH = 7.4): 0.70897245
• Log P: 0.8149272
• Molar Refractivity: 73.8989 cm^3
• Polarizability: 27.63571 Å^3
• Polar Surface Area: 78.43 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds