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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).