ChemSpider 2D Image | (S)-N-(4-Amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)acrylamide | C23H20N6O

(S)-N-(4-Amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)acrylamide

  • Molecular FormulaC23H20N6O
  • Average mass396.444 Da
  • Monoisotopic mass396.169861 Da
  • ChemSpider ID71117518

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-N-(4-Amino-6-methyl-5-(quinolin-3-yl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl)acrylamide
1661854-97-2 [RN]
2-Propenamide, N-[(8S)-4-amino-8,9-dihydro-6-methyl-5-(3-quinolinyl)pyrimido[5,4-b]indolizin-8-yl]- [ACD/Index Name]
N-[(8S)-4-Amino-5-(3-chinolinyl)-6-methyl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]acrylamid [German] [ACD/IUPAC Name]
N-[(8S)-4-Amino-6-méthyl-5-(3-quinoléinyl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]acrylamide [French] [ACD/IUPAC Name]
N-[(8S)-4-Amino-6-methyl-5-(3-quinolinyl)-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]acrylamide [ACD/IUPAC Name]
MFCD31715430
N-[(8S)-4-amino-6-methyl-5-quinolin-3-yl-8,9-dihydropyrimido[5,4-b]indolizin-8-yl]prop-2-enamide
TAS6417

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

Density: 1.4±0.1 g/cm3
Boiling Point: 756.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 411.4±32.9 °C
Index of Refraction: 1.746
Molar Refractivity: 114.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 24.97
ACD/KOC (pH 5.5): 304.02
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 39.97
ACD/KOC (pH 7.4): 486.61
Polar Surface Area: 99 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 282.0±7.0 cm3

Click to predict properties on the Chemicalize site


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