ChemSpider 2D Image | 4-{3-(Hydroxymethyl)-6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinolinyl}-N-(4-isopropoxyphenyl)-1-piperazinecarboxamide | C33H45N5O5

4-{3-(Hydroxymethyl)-6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinolinyl}-N-(4-isopropoxyphenyl)-1-piperazinecarboxamide

  • Molecular FormulaC33H45N5O5
  • Average mass591.741 Da
  • Monoisotopic mass591.342041 Da
  • ChemSpider ID8320694

More details:

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

1-Piperazinecarboxamide, 4-[3-(hydroxymethyl)-6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinolinyl]-N-[4-(1-methylethoxy)phenyl]- [ACD/Index Name]
4-{3-(Hydroxymethyl)-6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-chinolinyl}-N-(4-isopropoxyphenyl)-1-piperazincarboxamid [German] [ACD/IUPAC Name]
4-{3-(Hydroxyméthyl)-6-méthoxy-7-[3-(1-pipéridinyl)propoxy]-4-quinoléinyl}-N-(4-isopropoxyphényl)-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
4-{3-(Hydroxymethyl)-6-methoxy-7-[3-(1-piperidinyl)propoxy]-4-quinolinyl}-N-(4-isopropoxyphenyl)-1-piperazinecarboxamide [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 811.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.8±3.0 kJ/mol
Flash Point: 444.8±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 169.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.20
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 100 Å2
Polarizability: 67.1±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 484.5±3.0 cm3

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