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Search term: ZORLJXWXFABTPZ-CTNGQTDRSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 7-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-(methoxymethyl)-1-[(1R)-1-phenylethyl]-8-[(3S)-3-pyrrolidinylmethoxy]-1H-imidazo[4,5-c]quinoline | C30H33N5O3

7-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-(methoxymethyl)-1-[(1R)-1-phenylethyl]-8-[(3S)-3-pyrrolidinylmethoxy]-1H-imidazo[4,5-c]quinoline

  • Molecular FormulaC30H33N5O3
  • Average mass511.615 Da
  • Monoisotopic mass511.258331 Da
  • ChemSpider ID113062712

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Imidazo[4,5-c]quinoline, 7-(3,5-dimethyl-4-isoxazolyl)-2-(methoxymethyl)-1-[(1R)-1-phenylethyl]-8-[(3S)-3-pyrrolidinylmethoxy]- [ACD/Index Name]
7-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-(methoxymethyl)-1-[(1R)-1-phenylethyl]-8-[(3S)-3-pyrrolidinylmethoxy]-1H-imidazo[4,5-c]chinolin [German] [ACD/IUPAC Name]
7-(3,5-Diméthyl-1,2-oxazol-4-yl)-2-(méthoxyméthyl)-1-[(1R)-1-phényléthyl]-8-[(3S)-3-pyrrolidinylméthoxy]-1H-imidazo[4,5-c]quinoléine [French] [ACD/IUPAC Name]
7-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-(methoxymethyl)-1-[(1R)-1-phenylethyl]-8-[(3S)-3-pyrrolidinylmethoxy]-1H-imidazo[4,5-c]quinoline [ACD/IUPAC Name]
2451862-42-1 [RN]
4-[2-(methoxymethyl)-1-[(1{R})-1-phenylethyl]-8-[[(3{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
4-[2-(methoxymethyl)-1-[(1R)-1-phenylethyl]-8-[[(3S)-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
GSK778
MFCD33402173

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

Density: 1.3±0.1 g/cm3
Boiling Point: 679.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.8±31.5 °C
Index of Refraction: 1.668
Molar Refractivity: 145.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.76
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 3.88
ACD/KOC (pH 7.4): 19.08
Polar Surface Area: 87 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 389.4±7.0 cm3

Click to predict properties on the Chemicalize site


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