ChemSpider 2D Image | 6-(2-Methyl-2-propanyl)-1-{2-[4-(2-methyl-2-propanyl)phenyl]-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl}-2,3-dihydro-4(1H)-quinolinone | C36H42N6O

6-(2-Methyl-2-propanyl)-1-{2-[4-(2-methyl-2-propanyl)phenyl]-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl}-2,3-dihydro-4(1H)-quinolinone

  • Molecular FormulaC36H42N6O
  • Average mass574.758 Da
  • Monoisotopic mass574.341980 Da
  • ChemSpider ID121977695

More details:

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

4(1H)-Quinolinone, 6-(1,1-dimethylethyl)-1-[2-[4-(1,1-dimethylethyl)phenyl]-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]-2,3-dihydro- [ACD/Index Name]
6-(2-Methyl-2-propanyl)-1-{2-[4-(2-methyl-2-propanyl)phenyl]-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl}-2,3-dihydro-4(1H)-chinolinon [German] [ACD/IUPAC Name]
6-(2-Méthyl-2-propanyl)-1-{2-[4-(2-méthyl-2-propanyl)phényl]-6-[4-(2-pyridinyl)-1-pipérazinyl]-4-pyrimidinyl}-2,3-dihydro-4(1H)-quinoléinone [French] [ACD/IUPAC Name]
6-(2-Methyl-2-propanyl)-1-{2-[4-(2-methyl-2-propanyl)phenyl]-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl}-2,3-dihydro-4(1H)-quinolinone [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 698.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 376.5±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 170.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 26.01
ACD/KOC (pH 5.5): 36.78
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 1384.72
ACD/KOC (pH 7.4): 1957.89
Polar Surface Area: 65 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 493.9±3.0 cm3

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