N-[2-methyl-4-oxo-3-(3-oxobutyl)-1,4-dihydroquinolin-6-yl]acetamide

• ChemBase ID: 190494
• Molecular Formular: C16H18N2O3
• Molecular Mass: 286.32572
• Monoisotopic Mass: 286.13174245
• SMILES: c1(c(=O)c2c([nH]c1C)ccc(c2)NC(=O)C)CCC(=O)C
• Canonical SMILES: CC(=O)CCc1c(C)[nH]c2c(c1=O)cc(cc2)NC(=O)C
• InChI: InChI=1S/C16H18N2O3/c1-9(19)4-6-13-10(2)17-15-7-5-12(18-11(3)20)8-14(15)16(13)21/h5,7-8H,4,6H2,1-3H3,(H,17,21)(H,18,20)
• InChIKey: LUIHDIXGMJXFQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-methyl-4-oxo-3-(3-oxobutyl)-1,4-dihydroquinolin-6-yl]acetamide
• IUPAC Traditional name: N-[2-methyl-4-oxo-3-(3-oxobutyl)-1H-quinolin-6-yl]acetamide

Database IDs

• PubChem SID: 164246404
• PubChem CID: 868022

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6837679
• LogD (pH = 7.4): 1.6837478
• Log P: 1.6837846
• Molar Refractivity: 84.4764 cm^3
• Polarizability: 30.23828 Å^3
• Polar Surface Area: 75.27 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 11.449469

PROPERTIES

Product Information

• Description: Tautomers
• Classification: Derivatives & analogs of Natural Compounds