ChemSpider 2D Image | 3-[(4-Isopropyl-1-piperazinyl)methyl]-N-[(1S)-2-methyl-1-phenylpropyl]-2-phenyl-4-quinolinecarboxamide | C34H40N4O

3-[(4-Isopropyl-1-piperazinyl)methyl]-N-[(1S)-2-methyl-1-phenylpropyl]-2-phenyl-4-quinolinecarboxamide

  • Molecular FormulaC34H40N4O
  • Average mass520.708 Da
  • Monoisotopic mass520.320190 Da
  • ChemSpider ID8919872

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-[(4-Isopropyl-1-piperazinyl)methyl]-N-[(1S)-2-methyl-1-phenylpropyl]-2-phenyl-4-chinolincarboxamid [German] [ACD/IUPAC Name]
3-[(4-Isopropyl-1-pipérazinyl)méthyl]-N-[(1S)-2-méthyl-1-phénylpropyl]-2-phényl-4-quinoléinecarboxamide [French] [ACD/IUPAC Name]
3-[(4-Isopropyl-1-piperazinyl)methyl]-N-[(1S)-2-methyl-1-phenylpropyl]-2-phenyl-4-quinolinecarboxamide [ACD/IUPAC Name]
4-Quinolinecarboxamide, 3-[[4-(1-methylethyl)-1-piperazinyl]methyl]-N-[(1S)-2-methyl-1-phenylpropyl]-2-phenyl- [ACD/Index Name]
3-(4-Isopropyl-piperazin-1-ylmethyl)-2-phenyl-quinoline-4-carboxylic acid (2-methyl-1-phenyl-propyl)-amide
CHEMBL296857
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL296857/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 668.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 358.1±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 161.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 62.69
ACD/KOC (pH 5.5): 155.96
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 3101.80
ACD/KOC (pH 7.4): 7717.03
Polar Surface Area: 48 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 463.3±3.0 cm3

Click to predict properties on the Chemicalize site


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