5-(8-hydroxyquinolin-2-yl)-1H,5H,6H,7H,8H-pyrido[3,2-f]indazol-7-one

• ChemBase ID: 357284
• Molecular Formular: C19H14N4O2
• Molecular Mass: 330.34006
• Monoisotopic Mass: 330.11167571
• SMILES: n1c(C2c3c(NC(=O)C2)cc2c(c3)cn[nH]2)ccc2c1c(O)ccc2
• Canonical SMILES: O=C1Nc2cc3[nH]ncc3cc2C(C1)c1ccc2c(n1)c(O)ccc2
• InChI: InChI=1S/C19H14N4O2/c24-17-3-1-2-10-4-5-14(22-19(10)17)13-7-18(25)21-16-8-15-11(6-12(13)16)9-20-23-15/h1-6,8-9,13,24H,7H2,(H,20,23)(H,21,25)
• InChIKey: GTJICUDOEUQOFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(8-hydroxyquinolin-2-yl)-1H,5H,6H,7H,8H-pyrido[3,2-f]indazol-7-one
• IUPAC Traditional name: 5-(8-hydroxyquinolin-2-yl)-1H,5H,6H,8H-pyrido[3,2-f]indazol-7-one
• Synonyms: 5-(8-hydroxyquinolin-2-yl)-1,5,6,8-tetrahydro-7H-pyrazolo[4,3-g]quinolin-7-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.321733
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 2.2354674
• LogD (pH = 7.4): 2.2391498
• Log P: 2.2444763
• Molar Refractivity: 94.3489 cm^3
• Polarizability: 37.462456 Å^3
• Polar Surface Area: 90.9 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 2.86
• LOG S: -4.58
• Polar Surface Area: 90.9 Å^2
• Rotatable Bonds: 1