[2-(4-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate

C17H12FN3O3 — CID 23999336

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate
SMILESO=C(COC(=O)c1cnc2ccccc2n1)Nc1ccc(F)cc1
InChIInChI=1S/C17H12FN3O3/c18-11-5-7-12(8-6-11)20-16(22)10-24-17(23)15-9-19-13-3-1-2-4-14(13)21-15/h1-9H,10H2,(H,20,22)
InChIKeyUWGYPSATCWZWOX-UHFFFAOYSA-N
MW325.30 g/mol
LogP2.56
Rot. Bonds4

About [2-(4-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate

[2-(4-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate (PubChem CID 23999336) has the molecular formula C17H12FN3O3 and a molecular weight of 325.30 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate
PubChem CID23999336
Molecular FormulaC17H12FN3O3
Molecular Weight325.30 g/mol
Exact Mass325.09
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate
SMILESO=C(COC(=O)c1cnc2ccccc2n1)Nc1ccc(F)cc1
InChIInChI=1S/C17H12FN3O3/c18-11-5-7-12(8-6-11)20-16(22)10-24-17(23)15-9-19-13-3-1-2-4-14(13)21-15/h1-9H,10H2,(H,20,22)
InChIKeyUWGYPSATCWZWOX-UHFFFAOYSA-N
XLogP2.56
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate (CID 23999336) is [2-(4-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate is O=C(COC(=O)c1cnc2ccccc2n1)Nc1ccc(F)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate?
The InChIKey is UWGYPSATCWZWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O3/c18-11-5-7-12(8-6-11)20-16(22)10-24-17(23)15-9-19-13-3-1-2-4-14(13)21-15/h1-9H,10H2,(H,20,22).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate?
[2-(4-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate has a molecular weight of 325.30 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate is sourced from PubChem (CID 23999336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).