2-[3-(2-fluoroethoxy)-5-methoxy-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)quinoxalin-6-yl]anilino]ethanol

C23H26FN5O3 — CID 88888570

IUPAC2-[3-(2-fluoroethoxy)-5-methoxy-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)quinoxalin-6-yl]anilino]ethanol
SMILESCOc1cc(OCCF)cc(N(CCO)c2ccc3ncc(C4=CN(C)NC4)nc3c2)c1
InChIInChI=1S/C23H26FN5O3/c1-28-15-16(13-26-28)23-14-25-21-4-3-17(11-22(21)27-23)29(6-7-30)18-9-19(31-2)12-20(10-18)32-8-5-24/h3-4,9-12,14-15,26,30H,5-8,13H2,1-2H3
InChIKeyLLRUEGYANLNNLN-UHFFFAOYSA-N
MW439.49 g/mol
LogP2.91
Rot. Bonds9

About 2-[3-(2-fluoroethoxy)-5-methoxy-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)quinoxalin-6-yl]anilino]ethanol

2-[3-(2-fluoroethoxy)-5-methoxy-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)quinoxalin-6-yl]anilino]ethanol (PubChem CID 88888570) has the molecular formula C23H26FN5O3 and a molecular weight of 439.49 g/mol. Its IUPAC name is 2-[3-(2-fluoroethoxy)-5-methoxy-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)quinoxalin-6-yl]anilino]ethanol.

Molecular Properties

Compound Name2-[3-(2-fluoroethoxy)-5-methoxy-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)quinoxalin-6-yl]anilino]ethanol
PubChem CID88888570
Molecular FormulaC23H26FN5O3
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC Name2-[3-(2-fluoroethoxy)-5-methoxy-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)quinoxalin-6-yl]anilino]ethanol
SMILESCOc1cc(OCCF)cc(N(CCO)c2ccc3ncc(C4=CN(C)NC4)nc3c2)c1
InChIInChI=1S/C23H26FN5O3/c1-28-15-16(13-26-28)23-14-25-21-4-3-17(11-22(21)27-23)29(6-7-30)18-9-19(31-2)12-20(10-18)32-8-5-24/h3-4,9-12,14-15,26,30H,5-8,13H2,1-2H3
InChIKeyLLRUEGYANLNNLN-UHFFFAOYSA-N
XLogP2.91
TPSA82.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[3-(2-fluoroethoxy)-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino]ethanol
CID 89447385
2-(3,5-dimethoxy-N-[3-[1-(trideuteriomethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethanol
CID 118014706
2-(3,5-dimethoxy-N-[3-[1-methyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)ethanol
CID 89447438
2-(N-[3-(1-tert-butylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol
CID 161085486
2-(N-[3-[(E)-N-ethoxy-C-methylcarbonimidoyl]quinoxalin-6-yl]-3,5-dimethoxyanilino)ethanol
CID 146244259
methyl 6-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)hexanoate
CID 156768545
N-(3-fluoro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine
CID 122644031
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;hydrochloride
CID 134152555
N-[2-(2,3-dihydro-1H-1,2,4-triazol-3-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 122643971
N-(2-aminoethyl)-2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)acetamide
CID 67467276
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-6-amine;hydrochloride
CID 54591287
tert-butyl 4-[4-[7-[N-(2-hydroxyethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 89447462

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluoroethoxy)-5-methoxy-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)quinoxalin-6-yl]anilino]ethanol?
The IUPAC name of 2-[3-(2-fluoroethoxy)-5-methoxy-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)quinoxalin-6-yl]anilino]ethanol (CID 88888570) is 2-[3-(2-fluoroethoxy)-5-methoxy-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)quinoxalin-6-yl]anilino]ethanol.
What is the SMILES notation for 2-[3-(2-fluoroethoxy)-5-methoxy-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)quinoxalin-6-yl]anilino]ethanol?
The canonical SMILES for 2-[3-(2-fluoroethoxy)-5-methoxy-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)quinoxalin-6-yl]anilino]ethanol is COc1cc(OCCF)cc(N(CCO)c2ccc3ncc(C4=CN(C)NC4)nc3c2)c1.
What is the InChIKey of 2-[3-(2-fluoroethoxy)-5-methoxy-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)quinoxalin-6-yl]anilino]ethanol?
The InChIKey is LLRUEGYANLNNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3/c1-28-15-16(13-26-28)23-14-25-21-4-3-17(11-22(21)27-23)29(6-7-30)18-9-19(31-2)12-20(10-18)32-8-5-24/h3-4,9-12,14-15,26,30H,5-8,13H2,1-2H3.
What are the key properties of 2-[3-(2-fluoroethoxy)-5-methoxy-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)quinoxalin-6-yl]anilino]ethanol?
2-[3-(2-fluoroethoxy)-5-methoxy-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)quinoxalin-6-yl]anilino]ethanol has a molecular weight of 439.49 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-fluoroethoxy)-5-methoxy-N-[3-(2-methyl-1,5-dihydropyrazol-4-yl)quinoxalin-6-yl]anilino]ethanol is sourced from PubChem (CID 88888570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).