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

• ChemBase ID: 238862
• Molecular Formular: C11H10N2O2
• Molecular Mass: 202.2093
• Monoisotopic Mass: 202.07422757
• SMILES: n1c2c(cc(c1)CC(=O)N)cc(cc2)O
• Canonical SMILES: NC(=O)Cc1cnc2c(c1)cc(cc2)O
• InChI: InChI=1S/C11H10N2O2/c12-11(15)4-7-3-8-5-9(14)1-2-10(8)13-6-7/h1-3,5-6,14H,4H2,(H2,12,15)
• InChIKey: CHKXIPJOYSHSOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22391994
• PubChem SID: 164294772
• PubChem CID: 71756250

CALCULATED PROPERTIES

• Acid pKa: 9.717069
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.6261006
• LogD (pH = 7.4): 0.65550125
• Log P: 0.65814084
• Molar Refractivity: 55.09 cm^3
• Polarizability: 22.43155 Å^3
• Polar Surface Area: 76.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.389

Product Information

• Purity: 95%