2-(quinolin-8-yloxy)acetamide

• ChemBase ID: 270238
• Molecular Formular: C11H10N2O2
• Molecular Mass: 202.2093
• Monoisotopic Mass: 202.07422757
• SMILES: c12ncccc2cccc1OCC(=O)N
• Canonical SMILES: NC(=O)COc1cccc2c1nccc2
• InChI: InChI=1S/C11H10N2O2/c12-10(14)7-15-9-5-1-3-8-4-2-6-13-11(8)9/h1-6H,7H2,(H2,12,14)
• InChIKey: KKPWWOUWKKOGJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(quinolin-8-yloxy)acetamide
• IUPAC Traditional name: 2-(quinolin-8-yloxy)acetamide
• Synonyms: 2-(quinolin-8-yloxy)acetamide

Database IDs

• MDL Number: MFCD00812142
• PubChem SID: 164326148
• PubChem CID: 753651

CALCULATED PROPERTIES

• Acid pKa: 15.529371
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6433484
• LogD (pH = 7.4): 0.64425826
• Log P: 0.6442699
• Molar Refractivity: 54.3493 cm^3
• Polarizability: 22.51412 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.819

Product Information

• Purity: 95%