ChemSpider 2D Image | N-(4-{[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino}-7-[2-(4-morpholinyl)ethoxy]-6-quinazolinyl)acrylamide | C29H29ClN6O4

N-(4-{[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino}-7-[2-(4-morpholinyl)ethoxy]-6-quinazolinyl)acrylamide

  • Molecular FormulaC29H29ClN6O4
  • Average mass561.031 Da
  • Monoisotopic mass560.193909 Da
  • ChemSpider ID112747183

More details:

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

2-Propenamide, N-[4-[[3-chloro-4-(2-pyridinylmethoxy)phenyl]amino]-7-[2-(4-morpholinyl)ethoxy]-6-quinazolinyl]- [ACD/Index Name]
N-(4-{[3-Chlor-4-(2-pyridinylmethoxy)phenyl]amino}-7-[2-(4-morpholinyl)ethoxy]-6-chinazolinyl)acrylamid [German] [ACD/IUPAC Name]
N-(4-{[3-Chloro-4-(2-pyridinylmethoxy)phenyl]amino}-7-[2-(4-morpholinyl)ethoxy]-6-quinazolinyl)acrylamide [ACD/IUPAC Name]
N-(4-{[3-Chloro-4-(2-pyridinylméthoxy)phényl]amino}-7-[2-(4-morpholinyl)éthoxy]-6-quinazolinyl)acrylamide [French] [ACD/IUPAC Name]
2414572-47-5 [RN]
BDTX-189
N-[4-[3-Chloro-4-(pyridin-2-ylmethoxy)anilino]-7-(2-morpholin-4-ylethoxy)quinazolin-6-yl]prop-2-enamide
Tuxobertinib

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

Density: 1.4±0.1 g/cm3
Boiling Point: 778.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 424.3±32.9 °C
Index of Refraction: 1.671
Molar Refractivity: 155.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.74
ACD/BCF (pH 5.5): 43.98
ACD/KOC (pH 5.5): 293.61
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 316.64
ACD/KOC (pH 7.4): 2113.74
Polar Surface Area: 111 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 65.8±3.0 dyne/cm
Molar Volume: 415.7±3.0 cm3

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