N-(quinolin-7-yl)-1H-indazole-3-carboxamide

• ChemBase ID: 380551
• Molecular Formular: C17H12N4O
• Molecular Mass: 288.30338
• Monoisotopic Mass: 288.10111102
• SMILES: c1(n[nH]c2c1cccc2)C(=O)Nc1cc2ncccc2cc1
• Canonical SMILES: O=C(c1n[nH]c2c1cccc2)Nc1ccc2c(c1)nccc2
• InChI: InChI=1S/C17H12N4O/c22-17(16-13-5-1-2-6-14(13)20-21-16)19-12-8-7-11-4-3-9-18-15(11)10-12/h1-10H,(H,19,22)(H,20,21)
• InChIKey: LGLYNZLEFHTIAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(quinolin-7-yl)-1H-indazole-3-carboxamide
• IUPAC Traditional name: N-(quinolin-7-yl)-1H-indazole-3-carboxamide
• Synonyms: N-7-quinolinyl-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.828202
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.9153647
• LogD (pH = 7.4): 2.9299104
• Log P: 2.9316974
• Molar Refractivity: 85.1559 cm^3
• Polarizability: 33.938725 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.11
• LOG S: -5.07
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 2