N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)-3-(4,5,6,7-tetrahydro-2H-indazol-3-yl)propanamide

• ChemBase ID: 752699
• Molecular Formular: C19H22N4O2
• Molecular Mass: 338.40358
• Monoisotopic Mass: 338.17427596
• SMILES: n1[nH]c(c2c1CCCC2)CCC(=O)NC1CC(=O)Nc2c1cccc2
• Canonical SMILES: O=C(NC1CC(=O)Nc2c1cccc2)CCc1[nH]nc2c1CCCC2
• InChI: InChI=1S/C19H22N4O2/c24-18(10-9-16-13-6-2-4-8-15(13)22-23-16)21-17-11-19(25)20-14-7-3-1-5-12(14)17/h1,3,5,7,17H,2,4,6,8-11H2,(H,20,25)(H,21,24)(H,22,23)
• InChIKey: LOFGGJQYPUNEPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)-3-(4,5,6,7-tetrahydro-2H-indazol-3-yl)propanamide
• IUPAC Traditional name: N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-3-(4,5,6,7-tetrahydro-2H-indazol-3-yl)propanamide
• Synonyms: N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)-3-(4,5,6,7-tetrahydro-2H-indazol-3-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.435921
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.8261508
• LogD (pH = 7.4): 1.8270248
• Log P: 1.8270364
• Molar Refractivity: 96.7489 cm^3
• Polarizability: 35.939053 Å^3
• Polar Surface Area: 86.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.3
• LOG S: -2.78
• Polar Surface Area: 86.88 Å^2
• Rotatable Bonds: 4