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

• ChemBase ID: 189847
• Molecular Formular: C13H14N2O2
• Molecular Mass: 230.26246
• Monoisotopic Mass: 230.1055277
• SMILES: c12[nH]c(=O)cc(c1ccc(c2)NC(=O)CC)C
• Canonical SMILES: CCC(=O)Nc1ccc2c(c1)[nH]c(=O)cc2C
• InChI: InChI=1S/C13H14N2O2/c1-3-12(16)14-9-4-5-10-8(2)6-13(17)15-11(10)7-9/h4-7H,3H2,1-2H3,(H,14,16)(H,15,17)
• InChIKey: RKNLMMWOEUJJGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164245757
• PubChem CID: 676129

CALCULATED PROPERTIES

• Acid pKa: 13.444283
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8347832
• LogD (pH = 7.4): 1.8347828
• Log P: 1.8347832
• Molar Refractivity: 69.0511 cm^3
• Polarizability: 24.711567 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds