N-(4,6-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)acetamide

• ChemBase ID: 189996
• Molecular Formular: C13H14N2O2
• Molecular Mass: 230.26246
• Monoisotopic Mass: 230.1055277
• SMILES: c12c(c(cc(=O)[nH]1)C)cc(c(c2)NC(=O)C)C
• Canonical SMILES: CC(=O)Nc1cc2[nH]c(=O)cc(c2cc1C)C
• InChI: InChI=1S/C13H14N2O2/c1-7-5-13(17)15-12-6-11(14-9(3)16)8(2)4-10(7)12/h4-6H,1-3H3,(H,14,16)(H,15,17)
• InChIKey: PXDMRVPCJPVUKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4,6-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)acetamide
• IUPAC Traditional name: N-(4,6-dimethyl-2-oxo-1H-quinolin-7-yl)acetamide

Database IDs

• PubChem SID: 164245906
• PubChem CID: 751032

CALCULATED PROPERTIES

• Acid pKa: 13.754834
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6476687
• LogD (pH = 7.4): 1.6476685
• Log P: 1.6476687
• Molar Refractivity: 69.4654 cm^3
• Polarizability: 24.635471 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