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

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

  • Molecular FormulaC26H29Cl2N5O3
  • Average mass530.446 Da
  • Monoisotopic mass529.164734 Da
  • ChemSpider ID28474895

More details:






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

3-Isoquinolinecarbonitrile, 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]-3-isochinolincarbonitril [German] [ACD/IUPAC Name]
4-[(2,4-Dichloro-5-méthoxyphényl)amino]-6-méthoxy-7-[3-(4-méthyl-1-pipérazinyl)propoxy]-3-isoquinoléinecarbonitrile [French] [ACD/IUPAC Name]
4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-isoquinolinecarbonitrile [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 661.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.8±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 141.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 5.14
ACD/KOC (pH 5.5): 25.74
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 258.96
ACD/KOC (pH 7.4): 1295.63
Polar Surface Area: 83 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 388.3±5.0 cm3

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