[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate

C18H13FN2O4 — CID 7676646

IUPAC[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C18H13FN2O4/c1-24-17-5-3-12(19)9-13(17)16(22)10-25-18(23)11-2-4-14-15(8-11)21-7-6-20-14/h2-9H,10H2,1H3
InChIKeyVNIZSQAGSYPTIK-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.82
Rot. Bonds5

About [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate (PubChem CID 7676646) has the molecular formula C18H13FN2O4 and a molecular weight of 340.31 g/mol. Its IUPAC name is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate
PubChem CID7676646
Molecular FormulaC18H13FN2O4
Molecular Weight340.31 g/mol
Exact Mass340.09
IUPAC Name[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate
SMILESCOc1ccc(F)cc1C(=O)COC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C18H13FN2O4/c1-24-17-5-3-12(19)9-13(17)16(22)10-25-18(23)11-2-4-14-15(8-11)21-7-6-20-14/h2-9H,10H2,1H3
InChIKeyVNIZSQAGSYPTIK-UHFFFAOYSA-N
XLogP2.82
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 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 [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate?
The IUPAC name of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate (CID 7676646) is [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate.
What is the SMILES notation for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate?
The canonical SMILES for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate is COc1ccc(F)cc1C(=O)COC(=O)c1ccc2nccnc2c1.
What is the InChIKey of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate?
The InChIKey is VNIZSQAGSYPTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O4/c1-24-17-5-3-12(19)9-13(17)16(22)10-25-18(23)11-2-4-14-15(8-11)21-7-6-20-14/h2-9H,10H2,1H3.
What are the key properties of [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate?
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate has a molecular weight of 340.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] quinoxaline-6-carboxylate is sourced from PubChem (CID 7676646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).