ChemSpider 2D Image | 8-Methyl-3-{[{(1S)-1-[1-(2-phenylethyl)-1H-tetrazol-5-yl]propyl}(3-pyridinylmethyl)amino]methyl}-2-quinolinol | C29H31N7O

8-Methyl-3-{[{(1S)-1-[1-(2-phenylethyl)-1H-tetrazol-5-yl]propyl}(3-pyridinylmethyl)amino]methyl}-2-quinolinol

  • Molecular FormulaC29H31N7O
  • Average mass493.603 Da
  • Monoisotopic mass493.259003 Da
  • ChemSpider ID62328197

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2(1H)-Quinolinone, 8-methyl-3-[[[(1S)-1-[1-(2-phenylethyl)-1H-tetrazol-5-yl]propyl](3-pyridinylmethyl)amino]methyl]- [ACD/Index Name]
2-Quinolinol, 8-methyl-3-[[[(1S)-1-[1-(2-phenylethyl)-1H-tetrazol-5-yl]propyl](3-pyridinylmethyl)amino]methyl]- [ACD/Index Name]
8-Methyl-3-{[{(1S)-1-[1-(2-phenylethyl)-1H-tetrazol-5-yl]propyl}(3-pyridinylmethyl)amino]methyl}-2(1H)-chinolinon [German] [ACD/IUPAC Name]
8-Méthyl-3-{[{(1S)-1-[1-(2-phényléthyl)-1H-tétrazol-5-yl]propyl}(3-pyridinylméthyl)amino]méthyl}-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
8-Methyl-3-{[{(1S)-1-[1-(2-phenylethyl)-1H-tetrazol-5-yl]propyl}(3-pyridinylmethyl)amino]methyl}-2(1H)-quinolinone [ACD/IUPAC Name]
8-Methyl-3-{[{(1S)-1-[1-(2-phenylethyl)-1H-tetrazol-5-yl]propyl}(3-pyridinylmethyl)amino]methyl}-2-chinolinol [German] [ACD/IUPAC Name]
8-Méthyl-3-{[{(1S)-1-[1-(2-phényléthyl)-1H-tétrazol-5-yl]propyl}(3-pyridinylméthyl)amino]méthyl}-2-quinoléinol [French] [ACD/IUPAC Name]
8-Methyl-3-{[{(1S)-1-[1-(2-phenylethyl)-1H-tetrazol-5-yl]propyl}(3-pyridinylmethyl)amino]methyl}-2-quinolinol [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: 743.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 403.7±32.9 °C
Index of Refraction: 1.663
Molar Refractivity: 147.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 471.13
ACD/KOC (pH 5.5): 2740.91
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 535.33
ACD/KOC (pH 7.4): 3114.45
Polar Surface Area: 93 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 396.9±7.0 cm3

Click to predict properties on the Chemicalize site


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