quinoline-8-carboxamide

• ChemBase ID: 276163
• Molecular Formular: C10H8N2O
• Molecular Mass: 172.18332
• Monoisotopic Mass: 172.06366289
• SMILES: c1(c2ncccc2ccc1)C(=O)N
• Canonical SMILES: NC(=O)c1cccc2c1nccc2
• InChI: InChI=1S/C10H8N2O/c11-10(13)8-5-1-3-7-4-2-6-12-9(7)8/h1-6H,(H2,11,13)
• InChIKey: HPQRQAOVNXWEEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: quinoline-8-carboxamide
• IUPAC Traditional name: quinoline-8-carboxamide
• Synonyms: quinoline-8-carboxamide

Database IDs

• MDL Number: MFCD00508832
• PubChem SID: 164332073
• PubChem CID: 150664

CALCULATED PROPERTIES

• Acid pKa: 14.321707
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9802301
• LogD (pH = 7.4): 0.9815243
• Log P: 0.98154074
• Molar Refractivity: 49.0577 cm^3
• Polarizability: 19.793304 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 168 - 170°C
• Hydrophobicity(logP): 1.019

Product Information

• Purity: 95%