ChemSpider 2D Image | 3-({(1,3-Benzodioxol-5-ylmethyl)[(1S)-1-(1-cyclohexyl-1H-tetrazol-5-yl)propyl]amino}methyl)-5,7-dimethyl-2-quinolinol | C30H36N6O3

3-({(1,3-Benzodioxol-5-ylmethyl)[(1S)-1-(1-cyclohexyl-1H-tetrazol-5-yl)propyl]amino}methyl)-5,7-dimethyl-2-quinolinol

  • Molecular FormulaC30H36N6O3
  • Average mass528.645 Da
  • Monoisotopic mass528.284912 Da
  • ChemSpider ID62481602

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2(1H)-Quinolinone, 3-[[(1,3-benzodioxol-5-ylmethyl)[(1S)-1-(1-cyclohexyl-1H-tetrazol-5-yl)propyl]amino]methyl]-5,7-dimethyl- [ACD/Index Name]
2-Quinolinol, 3-[[(1,3-benzodioxol-5-ylmethyl)[(1S)-1-(1-cyclohexyl-1H-tetrazol-5-yl)propyl]amino]methyl]-5,7-dimethyl- [ACD/Index Name]
3-({(1,3-Benzodioxol-5-ylmethyl)[(1S)-1-(1-cyclohexyl-1H-tetrazol-5-yl)propyl]amino}methyl)-5,7-dimethyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-({(1,3-Benzodioxol-5-ylméthyl)[(1S)-1-(1-cyclohexyl-1H-tétrazol-5-yl)propyl]amino}méthyl)-5,7-diméthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-({(1,3-Benzodioxol-5-ylmethyl)[(1S)-1-(1-cyclohexyl-1H-tetrazol-5-yl)propyl]amino}methyl)-5,7-dimethyl-2(1H)-quinolinone [ACD/IUPAC Name]
3-({(1,3-Benzodioxol-5-ylmethyl)[(1S)-1-(1-cyclohexyl-1H-tetrazol-5-yl)propyl]amino}methyl)-5,7-dimethyl-2-chinolinol [German] [ACD/IUPAC Name]
3-({(1,3-Benzodioxol-5-ylméthyl)[(1S)-1-(1-cyclohexyl-1H-tétrazol-5-yl)propyl]amino}méthyl)-5,7-diméthyl-2-quinoléinol [French] [ACD/IUPAC Name]
3-({(1,3-Benzodioxol-5-ylmethyl)[(1S)-1-(1-cyclohexyl-1H-tetrazol-5-yl)propyl]amino}methyl)-5,7-dimethyl-2-quinolinol [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: 741.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 402.0±32.9 °C
Index of Refraction: 1.684
Molar Refractivity: 148.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3017.31
ACD/KOC (pH 5.5): 10609.64
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3050.57
ACD/KOC (pH 7.4): 10726.59
Polar Surface Area: 98 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 52.1±7.0 dyne/cm
Molar Volume: 391.8±7.0 cm3

Click to predict properties on the Chemicalize site


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