N-(quinolin-4-yl)acetamide

• ChemBase ID: 289939
• Molecular Formular: C11H10N2O
• Molecular Mass: 186.2099
• Monoisotopic Mass: 186.07931295
• SMILES: CC(=O)Nc1ccnc2ccccc12
• Canonical SMILES: CC(=O)Nc1ccnc2c1cccc2
• InChI: InChI=1S/C11H10N2O/c1-8(14)13-11-6-7-12-10-5-3-2-4-9(10)11/h2-7H,1H3,(H,12,13,14)
• InChIKey: OEONEHOVSJDOGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(quinolin-4-yl)acetamide
• IUPAC Traditional name: N-(quinolin-4-yl)acetamide
• Synonyms: N-(Quinolin-4-yl)acetamide

Database IDs

• CAS Number: 32433-28-6
• PubChem SID: 180675470
• PubChem CID: 148375

CALCULATED PROPERTIES

• Acid pKa: 13.319931
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2334055
• LogD (pH = 7.4): 1.3665832
• Log P: 1.3686109
• Molar Refractivity: 54.8423 cm^3
• Polarizability: 21.848421 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%