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

• ChemBase ID: 190191
• Molecular Formular: C14H16N2O2
• Molecular Mass: 244.28904
• Monoisotopic Mass: 244.12117776
• SMILES: c12c(c(cc(=O)[nH]1)C)cc(c(c2)NC(=O)CC)C
• Canonical SMILES: CCC(=O)Nc1cc2[nH]c(=O)cc(c2cc1C)C
• InChI: InChI=1S/C14H16N2O2/c1-4-13(17)15-11-7-12-10(5-9(11)3)8(2)6-14(18)16-12/h5-7H,4H2,1-3H3,(H,15,17)(H,16,18)
• InChIKey: AUOJVBYBILOEAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246101
• PubChem CID: 671563

CALCULATED PROPERTIES

• Acid pKa: 13.700459
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3482046
• LogD (pH = 7.4): 2.3482044
• Log P: 2.3482046
• Molar Refractivity: 74.0923 cm^3
• Polarizability: 26.47521 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