ChemSpider 2D Image | N-[2-(4-Methyl-1-piperazinyl)-5-(3-quinolinyl)phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydro-3-pyridinecarboxamide | C27H24F3N5O2

N-[2-(4-Methyl-1-piperazinyl)-5-(3-quinolinyl)phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydro-3-pyridinecarboxamide

  • Molecular FormulaC27H24F3N5O2
  • Average mass507.507 Da
  • Monoisotopic mass507.188202 Da
  • ChemSpider ID35035074

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Pyridinecarboxamide, 1,6-dihydro-N-[2-(4-methyl-1-piperazinyl)-5-(3-quinolinyl)phenyl]-6-oxo-4-(trifluoromethyl)- [ACD/Index Name]
N-[2-(4-Méthyl-1-pipérazinyl)-5-(3-quinoléinyl)phényl]-6-oxo-4-(trifluorométhyl)-1,6-dihydro-3-pyridinecarboxamide [French] [ACD/IUPAC Name]
N-[2-(4-Methyl-1-piperazinyl)-5-(3-quinolinyl)phenyl]-6-oxo-4-(trifluoromethyl)-1,6-dihydro-3-pyridinecarboxamide [ACD/IUPAC Name]
N-[2-(4-Methylpiperazin-1-Yl)-5-(Quinolin-3-Yl)phenyl]-6-Oxo-4-(Trifluoromethyl)-1,6-Dihydropyridine-3-Carboxamide
N-[5-(3-Chinolinyl)-2-(4-methyl-1-piperazinyl)phenyl]-6-oxo-4-(trifluormethyl)-1,6-dihydro-3-pyridincarboxamid [German] [ACD/IUPAC Name]
37F

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 686.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 368.7±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 133.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.76
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 30.13
ACD/KOC (pH 7.4): 314.38
Polar Surface Area: 78 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 369.2±3.0 cm3

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