ChemSpider 2D Image | 3-{(R)-[(4-Methoxybenzyl)(3-pyridinylmethyl)amino][1-(2-methoxyethyl)-1H-tetrazol-5-yl]methyl}-8-methyl-2-quinolinol | C29H31N7O3

3-{(R)-[(4-Methoxybenzyl)(3-pyridinylmethyl)amino][1-(2-methoxyethyl)-1H-tetrazol-5-yl]methyl}-8-methyl-2-quinolinol

  • Molecular FormulaC29H31N7O3
  • Average mass525.602 Da
  • Monoisotopic mass525.248840 Da
  • ChemSpider ID62290556

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2(1H)-Quinolinone, 3-[(R)-[1-(2-methoxyethyl)-1H-tetrazol-5-yl][[(4-methoxyphenyl)methyl](3-pyridinylmethyl)amino]methyl]-8-methyl- [ACD/Index Name]
2-Quinolinol, 3-[(R)-[1-(2-methoxyethyl)-1H-tetrazol-5-yl][[(4-methoxyphenyl)methyl](3-pyridinylmethyl)amino]methyl]-8-methyl- [ACD/Index Name]
3-{(R)-[(4-Methoxybenzyl)(3-pyridinylmethyl)amino][1-(2-methoxyethyl)-1H-tetrazol-5-yl]methyl}-8-methyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{(R)-[(4-Méthoxybenzyl)(3-pyridinylméthyl)amino][1-(2-méthoxyéthyl)-1H-tétrazol-5-yl]méthyl}-8-méthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{(R)-[(4-Methoxybenzyl)(3-pyridinylmethyl)amino][1-(2-methoxyethyl)-1H-tetrazol-5-yl]methyl}-8-methyl-2(1H)-quinolinone [ACD/IUPAC Name]
3-{(R)-[(4-Methoxybenzyl)(3-pyridinylmethyl)amino][1-(2-methoxyethyl)-1H-tetrazol-5-yl]methyl}-8-methyl-2-chinolinol [German] [ACD/IUPAC Name]
3-{(R)-[(4-Méthoxybenzyl)(3-pyridinylméthyl)amino][1-(2-méthoxyéthyl)-1H-tétrazol-5-yl]méthyl}-8-méthyl-2-quinoléinol [French] [ACD/IUPAC Name]
3-{(R)-[(4-Methoxybenzyl)(3-pyridinylmethyl)amino][1-(2-methoxyethyl)-1H-tetrazol-5-yl]methyl}-8-methyl-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: 767.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 418.2±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: 3.89
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 152.01
ACD/KOC (pH 5.5): 1224.99
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 169.48
ACD/KOC (pH 7.4): 1365.75
Polar Surface Area: 111 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 50.2±7.0 dyne/cm
Molar Volume: 408.9±7.0 cm3

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