7-chloroquinoline-2-carboxamide

• ChemBase ID: 235065
• Molecular Formular: C10H7ClN2O
• Molecular Mass: 206.62838
• Monoisotopic Mass: 206.02469053
• SMILES: n1c2cc(ccc2ccc1C(=O)N)Cl
• Canonical SMILES: Clc1ccc2c(c1)nc(cc2)C(=O)N
• InChI: InChI=1S/C10H7ClN2O/c11-7-3-1-6-2-4-8(10(12)14)13-9(6)5-7/h1-5H,(H2,12,14)
• InChIKey: HYADWYKOGDTHIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloroquinoline-2-carboxamide
• IUPAC Traditional name: 7-chloroquinoline-2-carboxamide
• Synonyms: 7-chloroquinoline-2-carboxamide

Database IDs

• MDL Number: MFCD16038707
• PubChem SID: 164290975
• PubChem CID: 12386204

CALCULATED PROPERTIES

• Acid pKa: 14.52573
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9714351
• LogD (pH = 7.4): 1.9714358
• Log P: 1.9714358
• Molar Refractivity: 53.4905 cm^3
• Polarizability: 21.642391 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.292

Product Information

• Purity: 95%