N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)-1-[2-(piperidin-1-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide

• ChemBase ID: 674205
• Molecular Formular: C19H24N6O2
• Molecular Mass: 368.43286
• Monoisotopic Mass: 368.19607404
• SMILES: c1(nnn(c1)CCN1CCCCC1)C(=O)NC1CC(=O)Nc2c1cccc2
• Canonical SMILES: O=C1CC(NC(=O)c2nnn(c2)CCN2CCCCC2)c2c(N1)cccc2
• InChI: InChI=1S/C19H24N6O2/c26-18-12-16(14-6-2-3-7-15(14)20-18)21-19(27)17-13-25(23-22-17)11-10-24-8-4-1-5-9-24/h2-3,6-7,13,16H,1,4-5,8-12H2,(H,20,26)(H,21,27)
• InChIKey: SCEISAQHAPOQQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)-1-[2-(piperidin-1-yl)ethyl]-1H-1,2,3-triazole-4-carboxamide
• IUPAC Traditional name: N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)-1-[2-(piperidin-1-yl)ethyl]-1,2,3-triazole-4-carboxamide
• Synonyms: N-(2-oxo-1,2,3,4-tetrahydro-4-quinolinyl)-1-[2-(1-piperidinyl)ethyl]-1H-1,2,3-triazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.408245
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.6339463
• LogD (pH = 7.4): 0.10031075
• Log P: 1.3096997
• Molar Refractivity: 114.3687 cm^3
• Polarizability: 38.322994 Å^3
• Polar Surface Area: 92.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.1
• LOG S: -3.47
• Polar Surface Area: 92.15 Å^2
• Rotatable Bonds: 5