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

C17H12FN3O3 — CID 23773471

IUPAC[2-(2-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate
SMILESO=C(COC(=O)c1cnc2ccccc2n1)Nc1ccccc1F
InChIInChI=1S/C17H12FN3O3/c18-11-5-1-2-6-12(11)21-16(22)10-24-17(23)15-9-19-13-7-3-4-8-14(13)20-15/h1-9H,10H2,(H,21,22)
InChIKeyUKVXPUSHKVUFFT-UHFFFAOYSA-N
MW325.30 g/mol
LogP2.56
Rot. Bonds4

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

[2-(2-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate (PubChem CID 23773471) has the molecular formula C17H12FN3O3 and a molecular weight of 325.30 g/mol. Its IUPAC name is [2-(2-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate.

Molecular Properties

Compound Name[2-(2-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate
PubChem CID23773471
Molecular FormulaC17H12FN3O3
Molecular Weight325.30 g/mol
Exact Mass325.09
IUPAC Name[2-(2-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate
SMILESO=C(COC(=O)c1cnc2ccccc2n1)Nc1ccccc1F
InChIInChI=1S/C17H12FN3O3/c18-11-5-1-2-6-12(11)21-16(22)10-24-17(23)15-9-19-13-7-3-4-8-14(13)20-15/h1-9H,10H2,(H,21,22)
InChIKeyUKVXPUSHKVUFFT-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

Analyze [2-(2-fluoroanilino)-2-oxoethyl] quinoxaline-2-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 [2-(2-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate?
The IUPAC name of [2-(2-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate (CID 23773471) is [2-(2-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate.
What is the SMILES notation for [2-(2-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate?
The canonical SMILES for [2-(2-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate is O=C(COC(=O)c1cnc2ccccc2n1)Nc1ccccc1F.
What is the InChIKey of [2-(2-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate?
The InChIKey is UKVXPUSHKVUFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O3/c18-11-5-1-2-6-12(11)21-16(22)10-24-17(23)15-9-19-13-7-3-4-8-14(13)20-15/h1-9H,10H2,(H,21,22).
What are the key properties of [2-(2-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate?
[2-(2-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-(2-fluoroanilino)-2-oxoethyl] quinoxaline-2-carboxylate is sourced from PubChem (CID 23773471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).