Found 1 result

Search term: LGGAKUPXXCXLLZ-ILGMOKPNSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | (3R)-N-(Adamantan-1-yl)-3-isopropyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide | C25H30N2O3

(3R)-N-(Adamantan-1-yl)-3-isopropyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide

  • Molecular FormulaC25H30N2O3
  • Average mass406.517 Da
  • Monoisotopic mass406.225647 Da
  • ChemSpider ID28640284
  • defined stereocentres - 1 of 5 defined stereocentres


More details:






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

(3R)-N-(Adamantan-1-yl)-3-isopropyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]chinolin-6-carboxamid [German] [ACD/IUPAC Name]
(3R)-N-(Adamantan-1-yl)-3-isopropyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoléine-6-carboxamide [French] [ACD/IUPAC Name]
(3R)-N-(Adamantan-1-yl)-3-isopropyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamide [ACD/IUPAC Name]
7H-1,4-Oxazino[2,3,4-ij]quinoline-6-carboxamide, 2,3-dihydro-3-(1-methylethyl)-7-oxo-N-tricyclo[3.3.1.13,7]dec-1-yl-, (3R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 589.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.4±30.1 °C
Index of Refraction: 1.639
Molar Refractivity: 113.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 228.71
ACD/KOC (pH 5.5): 1699.74
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 228.70
ACD/KOC (pH 7.4): 1699.70
Polar Surface Area: 59 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 315.8±5.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form