ChemSpider 2D Image | 1-{6-[4-(2,3-Dimethylphenyl)-1-piperazinyl]-2-(3-methoxyphenyl)-4-pyrimidinyl}-7-(1-pyrrolidinyl)-1,2,3,4-tetrahydroquinoline | C36H42N6O

1-{6-[4-(2,3-Dimethylphenyl)-1-piperazinyl]-2-(3-methoxyphenyl)-4-pyrimidinyl}-7-(1-pyrrolidinyl)-1,2,3,4-tetrahydroquinoline

  • Molecular FormulaC36H42N6O
  • Average mass574.758 Da
  • Monoisotopic mass574.341980 Da
  • ChemSpider ID121968369

More details:

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

1-{6-[4-(2,3-Dimethylphenyl)-1-piperazinyl]-2-(3-methoxyphenyl)-4-pyrimidinyl}-7-(1-pyrrolidinyl)-1,2,3,4-tetrahydrochinolin [German] [ACD/IUPAC Name]
1-{6-[4-(2,3-Diméthylphényl)-1-pipérazinyl]-2-(3-méthoxyphényl)-4-pyrimidinyl}-7-(1-pyrrolidinyl)-1,2,3,4-tétrahydroquinoléine [French] [ACD/IUPAC Name]
1-{6-[4-(2,3-Dimethylphenyl)-1-piperazinyl]-2-(3-methoxyphenyl)-4-pyrimidinyl}-7-(1-pyrrolidinyl)-1,2,3,4-tetrahydroquinoline [ACD/IUPAC Name]
Quinoline, 1-[6-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-(3-methoxyphenyl)-4-pyrimidinyl]-1,2,3,4-tetrahydro-7-(1-pyrrolidinyl)- [ACD/Index 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: 727.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 394.0±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 172.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 52.56
ACD/KOC (pH 5.5): 96.29
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 16144.30
ACD/KOC (pH 7.4): 29578.13
Polar Surface Area: 48 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 481.8±3.0 cm3

Click to predict properties on the Chemicalize site


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