ChemSpider 2D Image | 7-Methoxy-4-[(3S)-3-phenyl-1-piperidinyl]-6-[2-(2-quinolinyl)ethoxy]quinazoline | C31H30N4O2

7-Methoxy-4-[(3S)-3-phenyl-1-piperidinyl]-6-[2-(2-quinolinyl)ethoxy]quinazoline

  • Molecular FormulaC31H30N4O2
  • Average mass490.595 Da
  • Monoisotopic mass490.236877 Da
  • ChemSpider ID26328538
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

6-[2-(2-Chinolinyl)ethoxy]-7-methoxy-4-[(3S)-3-phenyl-1-piperidinyl]chinazolin [German] [ACD/IUPAC Name]
7-Méthoxy-4-[(3S)-3-phényl-1-pipéridinyl]-6-[2-(2-quinoléinyl)éthoxy]quinazoline [French] [ACD/IUPAC Name]
7-Methoxy-4-[(3S)-3-phenyl-1-piperidinyl]-6-[2-(2-quinolinyl)ethoxy]quinazoline [ACD/IUPAC Name]
7-Methoxy-4-[(3s)-3-Phenylpiperidin-1-Yl]-6-[2-(Quinolin-2-Yl)ethoxy]quinazoline
Quinazoline, 7-methoxy-4-[(3S)-3-phenyl-1-piperidinyl]-6-[2-(2-quinolinyl)ethoxy]- [ACD/Index Name]
PFW

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 690.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.4±31.5 °C
Index of Refraction: 1.664
Molar Refractivity: 147.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.41
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 13.10
ACD/KOC (pH 5.5): 41.35
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 32.57
ACD/KOC (pH 7.4): 102.80
Polar Surface Area: 60 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 399.0±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement