2-chloro-N-(quinolin-8-yl)acetamide

• ChemBase ID: 78789
• Molecular Formular: C11H9ClN2O
• Molecular Mass: 220.65496
• Monoisotopic Mass: 220.0403406
• SMILES: N(c1c2ncccc2ccc1)C(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1cccc2c1nccc2
• InChI: InChI=1S/C11H9ClN2O/c12-7-10(15)14-9-5-1-3-8-4-2-6-13-11(8)9/h1-6H,7H2,(H,14,15)
• InChIKey: ILSCGIHFKLZTME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(quinolin-8-yl)acetamide
• IUPAC Traditional name: 2-chloro-N-(quinolin-8-yl)acetamide
• Synonyms: N1-(8-quinolyl)-2-chloroacetamide

Database IDs

• MDL Number: MFCD00218186
• PubChem SID: 162043552
• PubChem CID: 735766

CALCULATED PROPERTIES

• Acid pKa: 11.896841
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9025512
• LogD (pH = 7.4): 1.9058985
• Log P: 1.9059546
• Molar Refractivity: 59.5955 cm^3
• Polarizability: 23.63821 Å^3
• Polar Surface Area: 41.99 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true