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

• ChemBase ID: 163677
• Molecular Formular: C12H11ClN2O2
• Molecular Mass: 250.68094
• Monoisotopic Mass: 250.05090528
• SMILES: c1cc(cc2c1c(cc(=O)[nH]2)C)NC(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1ccc2c(c1)[nH]c(=O)cc2C
• InChI: InChI=1S/C12H11ClN2O2/c1-7-4-11(16)15-10-5-8(2-3-9(7)10)14-12(17)6-13/h2-5H,6H2,1H3,(H,14,17)(H,15,16)
• InChIKey: USRUAYVEQRYSTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(4-methyl-2-oxo-1,2-dihydroquinolin-7-yl)acetamide
• IUPAC Traditional name: 2-chloro-N-(4-methyl-2-oxo-1H-quinolin-7-yl)acetamide
• Synonyms: 2-Chloro-N-(1,2-dihydro-4-methyl-2-oxo-7-quinolinyl)acetamide; Chloro-N-(4-methyl-2-oxo-1,2-dihydro-7-quinolyl)ethanamide; Carbostyril 124 N-Carboxymethyl Chloride

Database IDs

• CAS Number: 183613-11-8
• PubChem SID: 162257812
• PubChem CID: 10658364

CALCULATED PROPERTIES

• Acid pKa: 13.1081295
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.671591
• LogD (pH = 7.4): 1.6715903
• Log P: 1.6715912
• Molar Refractivity: 69.1774 cm^3
• Polarizability: 24.729433 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMF
• Apperance: Grey Solid