ethyl 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate

C23H17F2N3O3 — CID 118453957

IUPACethyl 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3cc(OC)ncc3F)nc2c1
InChIInChI=1S/C23H17F2N3O3/c1-3-31-23(29)14-6-9-18-19(10-14)28-22(16-11-20(30-2)26-12-17(16)25)21(27-18)13-4-7-15(24)8-5-13/h4-12H,3H2,1-2H3
InChIKeyLCSZINBTOPOUOM-UHFFFAOYSA-N
MW421.40 g/mol
LogP4.82
Rot. Bonds5

About ethyl 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate

ethyl 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate (PubChem CID 118453957) has the molecular formula C23H17F2N3O3 and a molecular weight of 421.40 g/mol. Its IUPAC name is ethyl 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate
PubChem CID118453957
Molecular FormulaC23H17F2N3O3
Molecular Weight421.40 g/mol
Exact Mass421.12
IUPAC Nameethyl 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3cc(OC)ncc3F)nc2c1
InChIInChI=1S/C23H17F2N3O3/c1-3-31-23(29)14-6-9-18-19(10-14)28-22(16-11-20(30-2)26-12-17(16)25)21(27-18)13-4-7-15(24)8-5-13/h4-12H,3H2,1-2H3
InChIKeyLCSZINBTOPOUOM-UHFFFAOYSA-N
XLogP4.82
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate 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 ethyl 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate?
The IUPAC name of ethyl 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate (CID 118453957) is ethyl 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate.
What is the SMILES notation for ethyl 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate?
The canonical SMILES for ethyl 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate is CCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3cc(OC)ncc3F)nc2c1.
What is the InChIKey of ethyl 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate?
The InChIKey is LCSZINBTOPOUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O3/c1-3-31-23(29)14-6-9-18-19(10-14)28-22(16-11-20(30-2)26-12-17(16)25)21(27-18)13-4-7-15(24)8-5-13/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate?
ethyl 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate has a molecular weight of 421.40 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate is sourced from PubChem (CID 118453957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).