ChemSpider 2D Image | 1-[1-(Dimethylamino)ethyl]-6-hydroxy-3-(2-{3-[(E)-2-(2-quinolinyl)vinyl]benzyl}-2H-tetrazol-5-yl)-2(1H)-quinolinone | C32H29N7O2

1-[1-(Dimethylamino)ethyl]-6-hydroxy-3-(2-{3-[(E)-2-(2-quinolinyl)vinyl]benzyl}-2H-tetrazol-5-yl)-2(1H)-quinolinone

  • Molecular FormulaC32H29N7O2
  • Average mass543.618 Da
  • Monoisotopic mass543.238281 Da
  • ChemSpider ID8026067

  • Double-bond stereo - Double-bond stereo

More details:

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

1-[1-(Diméthylamino)éthyl]-6-hydroxy-3-(2-{3-[(E)-2-(2-quinoléinyl)vinyl]benzyl}-2H-tétrazol-5-yl)-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
1-[1-(Dimethylamino)ethyl]-6-hydroxy-3-(2-{3-[(E)-2-(2-quinolinyl)vinyl]benzyl}-2H-tetrazol-5-yl)-2(1H)-quinolinone [ACD/IUPAC Name]
2(1H)-Quinolinone, 1-[1-(dimethylamino)ethyl]-6-hydroxy-3-[2-[[3-[(E)-2-(2-quinolinyl)ethenyl]phenyl]methyl]-2H-tetrazol-5-yl]- [ACD/Index Name]
3-(2-{3-[(E)-2-(2-Chinolinyl)vinyl]benzyl}-2H-tetrazol-5-yl)-1-[1-(dimethylamino)ethyl]-6-hydroxy-2(1H)-chinolinon [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 773.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.6±3.0 kJ/mol
Flash Point: 421.8±35.7 °C
Index of Refraction: 1.689
Molar Refractivity: 160.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 2.81
ACD/BCF (pH 5.5): 39.95
ACD/KOC (pH 5.5): 212.33
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 534.84
ACD/KOC (pH 7.4): 2842.65
Polar Surface Area: 100 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 418.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement