methyl quinoxaline-6-carboxylate

C10H8N2O2 — CID 2781239

IUPACmethyl quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C10H8N2O2/c1-14-10(13)7-2-3-8-9(6-7)12-5-4-11-8/h2-6H,1H3
InChIKeyVFPWJISMXACHIG-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.42
Rot. Bonds1

About methyl quinoxaline-6-carboxylate

methyl quinoxaline-6-carboxylate (PubChem CID 2781239) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is methyl quinoxaline-6-carboxylate.

Molecular Properties

Compound Namemethyl quinoxaline-6-carboxylate
PubChem CID2781239
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Namemethyl quinoxaline-6-carboxylate
SMILESCOC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C10H8N2O2/c1-14-10(13)7-2-3-8-9(6-7)12-5-4-11-8/h2-6H,1H3
InChIKeyVFPWJISMXACHIG-UHFFFAOYSA-N
XLogP1.42
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 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 methyl quinoxaline-6-carboxylate?
The IUPAC name of methyl quinoxaline-6-carboxylate (CID 2781239) is methyl quinoxaline-6-carboxylate.
What is the SMILES notation for methyl quinoxaline-6-carboxylate?
The canonical SMILES for methyl quinoxaline-6-carboxylate is COC(=O)c1ccc2nccnc2c1.
What is the InChIKey of methyl quinoxaline-6-carboxylate?
The InChIKey is VFPWJISMXACHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c1-14-10(13)7-2-3-8-9(6-7)12-5-4-11-8/h2-6H,1H3.
What are the key properties of methyl quinoxaline-6-carboxylate?
methyl quinoxaline-6-carboxylate has a molecular weight of 188.19 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl quinoxaline-6-carboxylate is sourced from PubChem (CID 2781239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).