ethyl 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate

C23H15ClF2N2O2 — CID 118453931

IUPACethyl 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3cc(Cl)ccc3F)nc2c1
InChIInChI=1S/C23H15ClF2N2O2/c1-2-30-23(29)14-5-10-19-20(11-14)28-22(17-12-15(24)6-9-18(17)26)21(27-19)13-3-7-16(25)8-4-13/h3-12H,2H2,1H3
InChIKeyNRKYFKZJSKGXLQ-UHFFFAOYSA-N
MW424.83 g/mol
LogP6.07
Rot. Bonds4

About ethyl 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate

ethyl 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate (PubChem CID 118453931) has the molecular formula C23H15ClF2N2O2 and a molecular weight of 424.83 g/mol. Its IUPAC name is ethyl 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate
PubChem CID118453931
Molecular FormulaC23H15ClF2N2O2
Molecular Weight424.83 g/mol
Exact Mass424.08
IUPAC Nameethyl 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3cc(Cl)ccc3F)nc2c1
InChIInChI=1S/C23H15ClF2N2O2/c1-2-30-23(29)14-5-10-19-20(11-14)28-22(17-12-15(24)6-9-18(17)26)21(27-19)13-3-7-16(25)8-4-13/h3-12H,2H2,1H3
InChIKeyNRKYFKZJSKGXLQ-UHFFFAOYSA-N
XLogP6.07
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.83
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate?
The IUPAC name of ethyl 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate (CID 118453931) is ethyl 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate.
What is the SMILES notation for ethyl 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate?
The canonical SMILES for ethyl 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate is CCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(-c3cc(Cl)ccc3F)nc2c1.
What is the InChIKey of ethyl 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate?
The InChIKey is NRKYFKZJSKGXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF2N2O2/c1-2-30-23(29)14-5-10-19-20(11-14)28-22(17-12-15(24)6-9-18(17)26)21(27-19)13-3-7-16(25)8-4-13/h3-12H,2H2,1H3.
What are the key properties of ethyl 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate?
ethyl 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate has a molecular weight of 424.83 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate is sourced from PubChem (CID 118453931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).