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

• ChemBase ID: 238863
• Molecular Formular: C12H12N2O2
• Molecular Mass: 216.23588
• Monoisotopic Mass: 216.08987763
• SMILES: n1c2c(cc(c1)CC(=O)N)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)cc(cn2)CC(=O)N
• InChI: InChI=1S/C12H12N2O2/c1-16-10-2-3-11-9(6-10)4-8(7-14-11)5-12(13)15/h2-4,6-7H,5H2,1H3,(H2,13,15)
• InChIKey: MARQCEFJUIZKDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22391995
• PubChem SID: 164294773
• PubChem CID: 71756251

CALCULATED PROPERTIES

• Acid pKa: 15.91818
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7733549
• LogD (pH = 7.4): 0.80363345
• Log P: 0.8040349
• Molar Refractivity: 59.5723 cm^3
• Polarizability: 24.348595 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%