ChemSpider 2D Image | 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-7-[3-(4-hydroxy-1-piperidinyl)propoxy]-6-methoxy-3-quinolinecarbonitrile | C26H28Cl2N4O4

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

  • Molecular FormulaC26H28Cl2N4O4
  • Average mass531.431 Da
  • Monoisotopic mass530.148743 Da
  • ChemSpider ID4486110

More details:

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

3-Quinolinecarbonitrile, 4-[(2,4-dichloro-5-methoxyphenyl)amino]-7-[3-(4-hydroxy-1-piperidinyl)propoxy]-6-methoxy- [ACD/Index Name]
4-[(2,4-Dichlor-5-methoxyphenyl)amino]-7-[3-(4-hydroxy-1-piperidinyl)propoxy]-6-methoxy-3-chinolincarbonitril [German] [ACD/IUPAC Name]
4-[(2,4-Dichloro-5-méthoxyphényl)amino]-7-[3-(4-hydroxy-1-pipéridinyl)propoxy]-6-méthoxy-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
4-[(2,4-Dichloro-5-methoxyphenyl)amino]-7-[3-(4-hydroxy-1-piperidinyl)propoxy]-6-methoxy-3-quinolinecarbonitrile [ACD/IUPAC Name]
4-[(2,4-dichloro-5-methoxyphenyl)amino]-7-[3-(4-hydroxypiperidin-1-yl)propoxy]-6-methoxyquinoline-3-carbonitrile
4-(2,4-Dichloro-5-methoxy-phenylamino)-7-[3-(4-hydroxy-piperidin-1-yl)-propoxy]-6-methoxy-quinoline-3-carbonitrile
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL424262/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 686.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 368.8±31.5 °C
Index of Refraction: 1.656
Molar Refractivity: 139.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 4.10
ACD/KOC (pH 5.5): 16.27
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 183.58
ACD/KOC (pH 7.4): 728.47
Polar Surface Area: 100 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 69.3±5.0 dyne/cm
Molar Volume: 379.9±5.0 cm3

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