ChemSpider 2D Image | 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[4-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-3-quinolinecarbonitrile | C27H27Cl2N5O2

4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[4-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-3-quinolinecarbonitrile

  • Molecular FormulaC27H27Cl2N5O2
  • Average mass524.442 Da
  • Monoisotopic mass523.154175 Da
  • ChemSpider ID9831329

More details:






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

3-Quinolinecarbonitrile, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[4-(4-methyl-1-piperazinyl)-1-butyn-1-yl]- [ACD/Index Name]
4-[(2,4-Dichlor-5-methoxyphenyl)amino]-6-methoxy-7-[4-(4-methyl-1-piperazinyl)-1-butin-1-yl]-3-chinolincarbonitril [German] [ACD/IUPAC Name]
4-[(2,4-Dichloro-5-méthoxyphényl)amino]-6-méthoxy-7-[4-(4-méthyl-1-pipérazinyl)-1-butyn-1-yl]-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[4-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-3-quinolinecarbonitrile [ACD/IUPAC Name]
4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[4-(4-methylpiperazin-1-yl)but-1-yn-1-yl]quinoline-3-carbonitrile
4-((2,4-dichloro-5-methoxyphenyl)amino)-6-methoxy-7-(4-(4-methylpiperazin-1-yl)but-1-yn-1-yl)quinoline-3-carbonitrile
4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[4-(4-methylpiperazin-1-yl)but-1-ynyl]-3-quinolinecarbonitrile
885482-95-1 [RN]
CHEMBL391738
SKS-927

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 663.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 355.0±31.5 °C
Index of Refraction: 1.671
Molar Refractivity: 142.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 2.98
ACD/BCF (pH 5.5): 32.25
ACD/KOC (pH 5.5): 100.49
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 1563.93
ACD/KOC (pH 7.4): 4873.33
Polar Surface Area: 74 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 70.1±5.0 dyne/cm
Molar Volume: 381.8±5.0 cm3

Click to predict properties on the Chemicalize site






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