N-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)acetamide

• ChemBase ID: 190130
• Molecular Formular: C12H12N2O2
• Molecular Mass: 216.23588
• Monoisotopic Mass: 216.08987763
• SMILES: c12[nH]c(=O)cc(c1ccc(c2)NC(=O)C)C
• Canonical SMILES: CC(=O)Nc1ccc2c(c1)[nH]c(=O)cc2C
• InChI: InChI=1S/C12H12N2O2/c1-7-5-12(16)14-11-6-9(13-8(2)15)3-4-10(7)11/h3-6H,1-2H3,(H,13,15)(H,14,16)
• InChIKey: SLRIAWDOXOGMSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)acetamide
• IUPAC Traditional name: N-(4-methyl-2-oxo-1H-quinolin-7-yl)acetamide

Database IDs

• PubChem SID: 164246040
• PubChem CID: 729762

CALCULATED PROPERTIES

• Acid pKa: 13.483404
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.1342473
• LogD (pH = 7.4): 1.134247
• Log P: 1.1342473
• Molar Refractivity: 64.4242 cm^3
• Polarizability: 22.872482 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds