ChemSpider 2D Image | N-(4-Isopropoxyphenyl)-4-{6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinyl}-1-piperazinecarboxamide | C30H40N6O4

N-(4-Isopropoxyphenyl)-4-{6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinyl}-1-piperazinecarboxamide

  • Molecular FormulaC30H40N6O4
  • Average mass548.676 Da
  • Monoisotopic mass548.311096 Da
  • ChemSpider ID8319418

More details:

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

1-Piperazinecarboxamide, 4-[6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinyl]-N-[4-(1-methylethoxy)phenyl]- [ACD/Index Name]
4-{6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-4-yl}-N-[4-(propan-2-yloxy)phenyl]piperazine-1-carboxamide
N-(4-Isopropoxyphenyl)-4-{6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-4-chinazolinyl}-1-piperazincarboxamid [German] [ACD/IUPAC Name]
N-(4-Isopropoxyphenyl)-4-{6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinyl}-1-piperazinecarboxamide [ACD/IUPAC Name]
N-(4-Isopropoxyphényl)-4-{6-méthoxy-7-[3-(1-pyrrolidinyl)propoxy]-4-quinazolinyl}-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
4-[6-Methoxy-7-(3-pyrrolidin-1-yl-propoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
CHEMBL123667

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

Density: 1.2±0.1 g/cm3
Boiling Point: 761.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 414.4±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 156.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.91
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 446.1±3.0 cm3

Click to predict properties on the Chemicalize site


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