ChemSpider 2D Image | N-(3-Chloro-6-methoxy-2-pyridinyl)-5-isopropoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-4-quinazolinamine | C25H33ClN6O3

N-(3-Chloro-6-methoxy-2-pyridinyl)-5-isopropoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-4-quinazolinamine

  • Molecular FormulaC25H33ClN6O3
  • Average mass501.021 Da
  • Monoisotopic mass500.230255 Da
  • ChemSpider ID23264130

More details:

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

4-quinazolinamine, N-(3-chloro-6-methoxy-2-pyridinyl)-5-(1-methylethoxy)-7-[3-(4-methyl-1-piperazinyl)propoxy]- [ACD/Index Name]
N-(3-Chlor-6-methoxy-2-pyridinyl)-5-isopropoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-4-chinazolinamin [German] [ACD/IUPAC Name]
N-(3-Chloro-6-methoxy-2-pyridinyl)-5-isopropoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-4-quinazolinamine [ACD/IUPAC Name]
N-(3-Chloro-6-méthoxy-2-pyridinyl)-5-isopropoxy-7-[3-(4-méthyl-1-pipérazinyl)propoxy]-4-quinazolinamine [French] [ACD/IUPAC Name]
N-(3-chloro-6-methoxypyridin-2-yl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5-(propan-2-yloxy)quinazolin-4-amine
CHEMBL198752
N-(3-chloro-6-methoxypyridin-2-yl)-5-isopropoxy-7-(3-(4-methylpiperazin-1-yl)propoxy)quinazolin-4-amine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 614.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 325.1±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 139.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 1.47
ACD/KOC (pH 5.5): 7.20
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 270.71
ACD/KOC (pH 7.4): 1330.90
Polar Surface Area: 85 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 404.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement