ChemSpider 2D Image | N-(4-Chlorobenzyl)-8-{3-[4-(2-hydroxyethyl)-1-piperazinyl]-1-propyn-1-yl}-1-methyl-6-(4-morpholinylmethyl)-4-oxo-1,4-dihydro-3-quinolinecarboxamide | C32H38ClN5O4

N-(4-Chlorobenzyl)-8-{3-[4-(2-hydroxyethyl)-1-piperazinyl]-1-propyn-1-yl}-1-methyl-6-(4-morpholinylmethyl)-4-oxo-1,4-dihydro-3-quinolinecarboxamide

  • Molecular FormulaC32H38ClN5O4
  • Average mass592.128 Da
  • Monoisotopic mass591.261230 Da
  • ChemSpider ID4442251

More details:

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

3-Quinolinecarboxamide, N-[(4-chlorophenyl)methyl]-1,4-dihydro-8-[3-[4-(2-hydroxyethyl)-1-piperazinyl]-1-propyn-1-yl]-1-methyl-6-(4-morpholinylmethyl)-4-oxo- [ACD/Index Name]
N-(4-Chlorbenzyl)-8-{3-[4-(2-hydroxyethyl)-1-piperazinyl]-1-propin-1-yl}-1-methyl-6-(4-morpholinylmethyl)-4-oxo-1,4-dihydro-3-chinolincarboxamid [German] [ACD/IUPAC Name]
N-(4-Chlorobenzyl)-8-{3-[4-(2-hydroxyéthyl)-1-pipérazinyl]-1-propyn-1-yl}-1-méthyl-6-(4-morpholinylméthyl)-4-oxo-1,4-dihydro-3-quinoléinecarboxamide [French] [ACD/IUPAC Name]
N-(4-Chlorobenzyl)-8-{3-[4-(2-hydroxyethyl)-1-piperazinyl]-1-propyn-1-yl}-1-methyl-6-(4-morpholinylmethyl)-4-oxo-1,4-dihydro-3-quinolinecarboxamide [ACD/IUPAC Name]
3-Quinolinecarboxamide, N-[(4-chlorophenyl)methyl]-1,4-dihydro-8-[3-[4-(2-hydroxyethyl)-1-piperazinyl]-1-propynyl]-1-methyl-6-(4-morpholinylmethyl)-4-oxo-

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

AIDS287145 [DBID]
AIDS-287145 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 812.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.9±3.0 kJ/mol
Flash Point: 445.3±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 163.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.87
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.64
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 21.10
ACD/KOC (pH 7.4): 285.99
Polar Surface Area: 89 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 72.2±5.0 dyne/cm
Molar Volume: 433.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement