ChemSpider 2D Image | 3-({[1-(1-Benzyl-1H-tetrazol-5-yl)propyl](3-pyridinylmethyl)amino}methyl)-6,7-dimethoxy-2(1H)-quinolinone | C29H31N7O3

3-({[1-(1-Benzyl-1H-tetrazol-5-yl)propyl](3-pyridinylmethyl)amino}methyl)-6,7-dimethoxy-2(1H)-quinolinone

  • Molecular FormulaC29H31N7O3
  • Average mass525.602 Da
  • Monoisotopic mass525.248840 Da
  • ChemSpider ID2450796

More details:

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

2(1H)-Quinolinone, 6,7-dimethoxy-3-[[[1-[1-(phenylmethyl)-1H-tetrazol-5-yl]propyl](3-pyridinylmethyl)amino]methyl]- [ACD/Index Name]
3-({[1-(1-Benzyl-1H-tetrazol-5-yl)propyl](3-pyridinylmethyl)amino}methyl)-6,7-dimethoxy-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-({[1-(1-Benzyl-1H-tétrazol-5-yl)propyl](3-pyridinylméthyl)amino}méthyl)-6,7-diméthoxy-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-({[1-(1-Benzyl-1H-tetrazol-5-yl)propyl](3-pyridinylmethyl)amino}methyl)-6,7-dimethoxy-2(1H)-quinolinone [ACD/IUPAC Name]

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

ASN 05300244 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 768.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 418.7±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 149.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 103.86
ACD/KOC (pH 5.5): 927.50
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 119.41
ACD/KOC (pH 7.4): 1066.34
Polar Surface Area: 107 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 408.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement