8-chloroquinoline-2-carboxamide

• ChemBase ID: 236957
• Molecular Formular: C10H7ClN2O
• Molecular Mass: 206.62838
• Monoisotopic Mass: 206.02469053
• SMILES: n1c2c(Cl)cccc2ccc1C(=O)N
• Canonical SMILES: NC(=O)c1ccc2c(n1)c(Cl)ccc2
• InChI: InChI=1S/C10H7ClN2O/c11-7-3-1-2-6-4-5-8(10(12)14)13-9(6)7/h1-5H,(H2,12,14)
• InChIKey: AYOZFOSESMHWGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-chloroquinoline-2-carboxamide
• IUPAC Traditional name: 8-chloroquinoline-2-carboxamide
• Synonyms: 8-chloroquinoline-2-carboxamide; 8-chloro-2-quinolinecarboxamide

Database IDs

• MDL Number: MFCD13007590
• PubChem SID: 164292867
• PubChem CID: 28685307

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.512019
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9714357
• LogD (pH = 7.4): 1.9714358
• Log P: 1.9714358
• Molar Refractivity: 53.4905 cm^3
• Polarizability: 21.666353 Å^3
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.29
• LOG S: -2.44
• Polar Surface Area: 55.98 Å^2
• Rotatable Bonds: 1

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.292

Product Information

• Purity: 95%