ChemSpider 2D Image | 4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[4-(4-morpholinyl)butoxy]-3-quinolinecarbonitrile | C26H28Cl2N4O4

4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[4-(4-morpholinyl)butoxy]-3-quinolinecarbonitrile

  • Molecular FormulaC26H28Cl2N4O4
  • Average mass531.431 Da
  • Monoisotopic mass530.148743 Da
  • ChemSpider ID4486100

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-morpholinyl)butoxy]- [ACD/Index Name]
4-[(2,4-Dichlor-5-methoxyphenyl)amino]-6-methoxy-7-[4-(4-morpholinyl)butoxy]-3-chinolincarbonitril [German] [ACD/IUPAC Name]
4-[(2,4-Dichloro-5-méthoxyphényl)amino]-6-méthoxy-7-[4-(4-morpholinyl)butoxy]-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[4-(4-morpholinyl)butoxy]-3-quinolinecarbonitrile [ACD/IUPAC Name]
4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[4-(morpholin-4-yl)butoxy]quinoline-3-carbonitrile
4-(2,4-Dichloro-5-methoxy-phenylamino)-6-methoxy-7-(4-morpholin-4-yl-butoxy)-quinoline-3-carbonitrile

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

Density: 1.4±0.1 g/cm3
Boiling Point: 649.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.6±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 139.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 38.12
ACD/KOC (pH 5.5): 139.34
ACD/LogD (pH 7.4): 4.55
ACD/BCF (pH 7.4): 1431.54
ACD/KOC (pH 7.4): 5232.53
Polar Surface Area: 89 Å2
Polarizability: 55.4±0.5 10-24cm3
Surface Tension: 64.9±5.0 dyne/cm
Molar Volume: 388.1±5.0 cm3

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