2-(6-methylquinolin-3-yl)acetamide

• ChemBase ID: 238876
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: n1c2c(cc(c1)CC(=O)N)cc(cc2)C
• Canonical SMILES: NC(=O)Cc1cnc2c(c1)cc(cc2)C
• InChI: InChI=1S/C12H12N2O/c1-8-2-3-11-10(4-8)5-9(7-14-11)6-12(13)15/h2-5,7H,6H2,1H3,(H2,13,15)
• InChIKey: MEUUSPHKEXDCHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-methylquinolin-3-yl)acetamide
• IUPAC Traditional name: 2-(6-methylquinolin-3-yl)acetamide
• Synonyms: 2-(6-methylquinolin-3-yl)acetamide

Database IDs

• MDL Number: MFCD22392003
• PubChem SID: 164294786
• PubChem CID: 71756255

CALCULATED PROPERTIES

• Acid pKa: 16.322065
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4418492
• LogD (pH = 7.4): 1.4746907
• Log P: 1.4751276
• Molar Refractivity: 58.1503 cm^3
• Polarizability: 23.62126 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.84

Product Information

• Purity: 95%