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

• ChemBase ID: 238878
• Molecular Formular: C12H12N2O2
• Molecular Mass: 216.23588
• Monoisotopic Mass: 216.08987763
• SMILES: n1c2c(cc(c1)CC(=O)N)cccc2OC
• Canonical SMILES: COc1cccc2c1ncc(c2)CC(=O)N
• InChI: InChI=1S/C12H12N2O2/c1-16-10-4-2-3-9-5-8(6-11(13)15)7-14-12(9)10/h2-5,7H,6H2,1H3,(H2,13,15)
• InChIKey: LRQKAJHYASMEGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22392005
• PubChem SID: 164294788
• PubChem CID: 71756257

CALCULATED PROPERTIES

• Acid pKa: 15.995513
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.803482
• LogD (pH = 7.4): 0.8040279
• Log P: 0.8040349
• Molar Refractivity: 59.5723 cm^3
• Polarizability: 24.355177 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.636

Product Information

• Purity: 95%