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

• ChemBase ID: 183182
• Molecular Formular: C14H16N2O3
• Molecular Mass: 260.28844
• Monoisotopic Mass: 260.11609238
• SMILES: c1(c(c2c([nH]c1=O)cccc2)O)CC(=O)NC(C)C
• Canonical SMILES: CC(NC(=O)Cc1c(=O)[nH]c2c(c1O)cccc2)C
• InChI: InChI=1S/C14H16N2O3/c1-8(2)15-12(17)7-10-13(18)9-5-3-4-6-11(9)16-14(10)19/h3-6,8H,7H2,1-2H3,(H,15,17)(H2,16,18,19)
• InChIKey: KPOCDUZAWSRFAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164239092
• PubChem CID: 54699215

CALCULATED PROPERTIES

• Acid pKa: 7.2432942
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.5458275
• LogD (pH = 7.4): 0.16809781
• Log P: 0.5535893
• Molar Refractivity: 73.6813 cm^3
• Polarizability: 27.192228 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