ChemSpider 2D Image | 7-Methyl-1-{6-[4-(4-methylbenzyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline | C38H42N6

7-Methyl-1-{6-[4-(4-methylbenzyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline

  • Molecular FormulaC38H42N6
  • Average mass582.780 Da
  • Monoisotopic mass582.347107 Da
  • ChemSpider ID122000696

More details:

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

1H-Pyrrolo[2,3-b]quinoline, 1-[2-[4-(1,1-dimethylethyl)phenyl]-6-[4-[(4-methylphenyl)methyl]-1-piperazinyl]-4-pyrimidinyl]-2,3-dihydro-7-methyl- [ACD/Index Name]
7-Methyl-1-{6-[4-(4-methylbenzyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-2,3-dihydro-1H-pyrrolo[2,3-b]chinolin [German] [ACD/IUPAC Name]
7-Méthyl-1-{6-[4-(4-méthylbenzyl)-1-pipérazinyl]-2-[4-(2-méthyl-2-propanyl)phényl]-4-pyrimidinyl}-2,3-dihydro-1H-pyrrolo[2,3-b]quinoléine [French] [ACD/IUPAC Name]
7-Methyl-1-{6-[4-(4-methylbenzyl)-1-piperazinyl]-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl}-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline [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: 696.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 375.2±31.5 °C
Index of Refraction: 1.647
Molar Refractivity: 179.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 1056.33
ACD/KOC (pH 5.5): 1124.48
ACD/LogD (pH 7.4): 6.88
ACD/BCF (pH 7.4): 77534.91
ACD/KOC (pH 7.4): 82537.40
Polar Surface Area: 48 Å2
Polarizability: 71.2±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 493.7±3.0 cm3

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