ChemSpider 2D Image | 2-Methyl-1-{4-[2-(4-{[methyl(6-quinolinylmethyl)amino]methyl}phenoxy)ethyl]-1-piperazinyl}-1-propanone | C28H36N4O2

2-Methyl-1-{4-[2-(4-{[methyl(6-quinolinylmethyl)amino]methyl}phenoxy)ethyl]-1-piperazinyl}-1-propanone

  • Molecular FormulaC28H36N4O2
  • Average mass460.611 Da
  • Monoisotopic mass460.283813 Da
  • ChemSpider ID22128371

More details:

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

1-{4-[2-(4-{[(6-Chinolinylmethyl)(methyl)amino]methyl}phenoxy)ethyl]-1-piperazinyl}-2-methyl-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 2-methyl-1-[4-[2-[4-[[methyl(6-quinolinylmethyl)amino]methyl]phenoxy]ethyl]-1-piperazinyl]- [ACD/Index Name]
2-Méthyl-1-{4-[2-(4-{[méthyl(6-quinoléinylméthyl)amino]méthyl}phénoxy)éthyl]-1-pipérazinyl}-1-propanone [French] [ACD/IUPAC Name]
2-Methyl-1-{4-[2-(4-{[methyl(6-quinolinylmethyl)amino]methyl}phenoxy)ethyl]-1-piperazinyl}-1-propanone [ACD/IUPAC Name]
1-{4-[2-(4-isobutyryl-1-piperazinyl)ethoxy]phenyl}-N-methyl-N-(6-quinolinylmethyl)methanamine
2-METHYL-1-(4-{2-[4-({METHYL[(QUINOLIN-6-YL)METHYL]AMINO}METHYL)PHENOXY]ETHYL}PIPERAZIN-1-YL)PROPAN-1-ONE
2-METHYL-1-{4-[2-(4-{[METHYL(QUINOLIN-6-YLMETHYL)AMINO]METHYL}PHENOXY)ETHYL]PIPERAZIN-1-YL}PROPAN-1-ONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 626.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 332.8±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 137.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 1.85
ACD/KOC (pH 5.5): 11.71
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 157.27
ACD/KOC (pH 7.4): 993.03
Polar Surface Area: 49 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 403.8±3.0 cm3

Click to predict properties on the Chemicalize site


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