ChemSpider 2D Image | 3-{3-(4-Chlorophenyl)-3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]propanoyl}-4-hydroxy-1-methyl-2(1H)-quinolinone | C30H27ClN4O4

3-{3-(4-Chlorophenyl)-3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]propanoyl}-4-hydroxy-1-methyl-2(1H)-quinolinone

  • Molecular FormulaC30H27ClN4O4
  • Average mass543.013 Da
  • Monoisotopic mass542.172058 Da
  • ChemSpider ID10483174

More details:

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

2(1H)-Quinolinone, 3-[3-(4-chlorophenyl)-3-[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]-1-oxopropyl]-4-hydroxy-1-methyl- [ACD/Index Name]
3-{3-(4-Chlorophényl)-3-[(1,5-diméthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazol-4-yl)amino]propanoyl}-4-hydroxy-1-méthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{3-(4-Chlorophenyl)-3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]propanoyl}-4-hydroxy-1-methyl-2(1H)-quinolinone [ACD/IUPAC Name]
3-{3-(4-Chlorphenyl)-3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]propanoyl}-4-hydroxy-1-methyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-(3-(4-chlorophenyl)-3-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)propanoyl)-4-hydroxy-1-methylquinolin-2(1H)-one
3-(3-(4-chlorophenyl)-3-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)propanoyl)-4-hydroxy-1-methylquinolin-2(1H)-one (en)
4-{[1-(4-chlorophenyl)-3-(4-hydroxy-1-methyl-2-oxo(3-hydroquinolyl))-3-oxopropyl]amino}-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 708.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 382.3±35.7 °C
Index of Refraction: 1.715
Molar Refractivity: 148.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 25.20
ACD/KOC (pH 5.5): 215.34
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.68
Polar Surface Area: 93 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 73.3±5.0 dyne/cm
Molar Volume: 378.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement