2-(8-methylquinolin-3-yl)acetamide

• ChemBase ID: 238877
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: n1c2c(cc(c1)CC(=O)N)cccc2C
• Canonical SMILES: Cc1cccc2c1ncc(c2)CC(=O)N
• InChI: InChI=1S/C12H12N2O/c1-8-3-2-4-10-5-9(6-11(13)15)7-14-12(8)10/h2-5,7H,6H2,1H3,(H2,13,15)
• InChIKey: ZHGPOQGMQUMSJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(8-methylquinolin-3-yl)acetamide
• IUPAC Traditional name: 2-(8-methylquinolin-3-yl)acetamide
• Synonyms: 2-(8-methylquinolin-3-yl)acetamide

Database IDs

• MDL Number: MFCD22392004
• PubChem SID: 164294787
• PubChem CID: 71756256

CALCULATED PROPERTIES

• Acid pKa: 16.341831
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4488748
• LogD (pH = 7.4): 1.4747859
• Log P: 1.4751276
• Molar Refractivity: 58.1503 cm^3
• Polarizability: 23.622791 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%