ChemSpider 2D Image | 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-[4-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-3-quinolinecarbonitrile | C26H25Cl2N5O

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

  • Molecular FormulaC26H25Cl2N5O
  • Average mass494.416 Da
  • Monoisotopic mass493.143616 Da
  • ChemSpider ID23303403

More details:

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

3-Quinolinecarbonitrile, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-[4-(4-methyl-1-piperazinyl)-1-butyn-1-yl]- [ACD/Index Name]
4-[(2,4-Dichlor-5-methoxyphenyl)amino]-6-[4-(4-methyl-1-piperazinyl)-1-butin-1-yl]-3-chinolincarbonitril [German] [ACD/IUPAC Name]
4-[(2,4-Dichloro-5-méthoxyphényl)amino]-6-[4-(4-méthyl-1-pipérazinyl)-1-butyn-1-yl]-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-[4-(4-methyl-1-piperazinyl)-1-butyn-1-yl]-3-quinolinecarbonitrile [ACD/IUPAC Name]
4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-[4-(4-methylpiperazin-1-yl)but-1-yn-1-yl]quinoline-3-carbonitrile
4-(2,4-dichloro-5-methoxyphenylamino)-6-(4-(4-methylpiperazin-1-yl)but-1-ynyl)quinoline-3-carbonitrile
CHEMBL393150
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL393150/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 633.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.9±31.5 °C
Index of Refraction: 1.682
Molar Refractivity: 136.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 31.03
ACD/KOC (pH 5.5): 98.42
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1497.75
ACD/KOC (pH 7.4): 4749.89
Polar Surface Area: 64 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 360.2±5.0 cm3

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