ChemSpider 2D Image | N-[2-(4-Isopropylphenyl)ethyl]-7-({1-[2-(4-quinolinylamino)ethyl]-4-piperidinyl}methoxy)-4-quinazolinamine | C36H42N6O

N-[2-(4-Isopropylphenyl)ethyl]-7-({1-[2-(4-quinolinylamino)ethyl]-4-piperidinyl}methoxy)-4-quinazolinamine

  • Molecular FormulaC36H42N6O
  • Average mass574.758 Da
  • Monoisotopic mass574.341980 Da
  • ChemSpider ID76754858

More details:

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

4-Quinazolinamine, N-[2-[4-(1-methylethyl)phenyl]ethyl]-7-[[1-[2-(4-quinolinylamino)ethyl]-4-piperidinyl]methoxy]- [ACD/Index Name]
7-({1-[2-(4-Chinolinylamino)ethyl]-4-piperidinyl}methoxy)-N-[2-(4-isopropylphenyl)ethyl]-4-chinazolinamin [German] [ACD/IUPAC Name]
N-[2-(4-Isopropylphényl)éthyl]-7-({1-[2-(4-quinoléinylamino)éthyl]-4-pipéridinyl}méthoxy)-4-quinazolinamine [French] [ACD/IUPAC Name]
N-[2-(4-Isopropylphenyl)ethyl]-7-({1-[2-(4-quinolinylamino)ethyl]-4-piperidinyl}methoxy)-4-quinazolinamine [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: 781.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.7±3.0 kJ/mol
Flash Point: 426.5±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 178.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 8.08
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 1.60
ACD/KOC (pH 5.5): 2.28
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 1099.42
ACD/KOC (pH 7.4): 1567.31
Polar Surface Area: 75 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 483.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement