ChemSpider 2D Image | naquotinib | C30H42N8O3

naquotinib

  • Molecular FormulaC30H42N8O3
  • Average mass562.706 Da
  • Monoisotopic mass562.338013 Da
  • ChemSpider ID44210447
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

10317
1448232-80-1 [RN]
2-Pyrazinecarboxamide, 6-ethyl-3-[[4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]amino]-5-[[(3R)-1-(1-oxo-2-propen-1-yl)-3-pyrrolidinyl]oxy]- [ACD/Index Name]
5-{[(3R)-1-Acryloyl-3-pyrrolidinyl]oxy}-6-ethyl-3-({4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl}amino)-2-pyrazincarboxamid [German] [ACD/IUPAC Name]
5-{[(3R)-1-Acryloyl-3-pyrrolidinyl]oxy}-6-ethyl-3-({4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl}amino)-2-pyrazinecarboxamide [ACD/IUPAC Name]
5-{[(3R)-1-Acryloyl-3-pyrrolidinyl]oxy}-6-éthyl-3-({4-[4-(4-méthyl-1-pipérazinyl)-1-pipéridinyl]phényl}amino)-2-pyrazinecarboxamide [French] [ACD/IUPAC Name]
6-ethyl-3-({4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}amino)-5-{[(3R)-1-(1-oxoprop-2-en-1-yl)pyrrolidin-3-yl]oxy}pyrazine-2-carboxamide
6-Ethyl-3-{4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino}-5-{[(3R)-1-(prop-2-enoyl)pyrrolidin-3-yl]oxy}pyrazine-2-carboxamide
ASP8273
naquotinib [INN] [USAN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

47DD4548PB [DBID]
UNII:47DD4548PB [DBID]
UNII-47DD4548PB [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 717.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 387.8±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 159.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.74
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.23
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 5.28
ACD/KOC (pH 7.4): 61.17
Polar Surface Area: 120 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 450.6±3.0 cm3

Click to predict properties on the Chemicalize site






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