ChemSpider 2D Image | 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-2-quinolinecarbonitrile | C26H29Cl2N5O3

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

  • Molecular FormulaC26H29Cl2N5O3
  • Average mass530.446 Da
  • Monoisotopic mass529.164734 Da
  • ChemSpider ID24747353

More details:

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

2-Quinolinecarbonitrile, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]- [ACD/Index Name]
4-[(2,4-Dichlor-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-2-chinolincarbonitril [German] [ACD/IUPAC Name]
4-[(2,4-Dichloro-5-méthoxyphényl)amino]-6-méthoxy-7-[3-(4-méthyl-1-pipérazinyl)propoxy]-2-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-2-quinolinecarbonitrile [ACD/IUPAC Name]
4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-2-carbonitrile
Bosutinib [INN] [USAN] [Wiki]
Bosutinib (SKI-606)

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

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

Density: 1.4±0.0 g/cm3
Boiling Point: 646.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 95.3±0.0 kJ/mol
Flash Point: 344.5±0.0 °C
Index of Refraction: 1.652
Molar Refractivity: 141.9±0.0 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 91.02
ACD/KOC (pH 5.5): 201.21
ACD/LogD (pH 7.4): 5.29
ACD/BCF (pH 7.4): 4581.62
ACD/KOC (pH 7.4): 10128.79
Polar Surface Area: 83 Å2
Polarizability: 56.3±0.0 10-24cm3
Surface Tension: 66.2±0.0 dyne/cm
Molar Volume: 388.3±0.0 cm3

Click to predict properties on the Chemicalize site


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