8-hydroxyquinoline-2-carboxamide

• ChemBase ID: 310625
• Molecular Formular: C10H8N2O2
• Molecular Mass: 188.18272
• Monoisotopic Mass: 188.05857751
• SMILES: n1c2c(O)cccc2ccc1C(=O)N
• Canonical SMILES: NC(=O)c1ccc2c(n1)c(O)ccc2
• InChI: InChI=1S/C10H8N2O2/c11-10(14)7-5-4-6-2-1-3-8(13)9(6)12-7/h1-5,13H,(H2,11,14)
• InChIKey: SDLPADBAAMHWQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-hydroxyquinoline-2-carboxamide
• IUPAC Traditional name: 8-hydroxyquinoline-2-carboxamide
• Synonyms: 8-hydroxy-2-quinolinecarboxamide

Database IDs

• CAS Number: 6759-79-1
• MDL Number: MFCD00168961

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0637276
• LogD (pH = 7.4): 1.0569594
• Log P: 1.0638257
• Molar Refractivity: 50.6666 cm^3
• Polarizability: 20.386473 Å^3
• Polar Surface Area: 76.21 Å^2