ethyl 3-methylquinoxaline-2-carboxylate

C12H12N2O2 — CID 589024

IUPACethyl 3-methylquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1C
InChIInChI=1S/C12H12N2O2/c1-3-16-12(15)11-8(2)13-9-6-4-5-7-10(9)14-11/h4-7H,3H2,1-2H3
InChIKeyIRZHLIWGVQPMHU-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.11
Rot. Bonds2

About ethyl 3-methylquinoxaline-2-carboxylate

ethyl 3-methylquinoxaline-2-carboxylate (PubChem CID 589024) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is ethyl 3-methylquinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methylquinoxaline-2-carboxylate
PubChem CID589024
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Nameethyl 3-methylquinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2nc1C
InChIInChI=1S/C12H12N2O2/c1-3-16-12(15)11-8(2)13-9-6-4-5-7-10(9)14-11/h4-7H,3H2,1-2H3
InChIKeyIRZHLIWGVQPMHU-UHFFFAOYSA-N
XLogP2.11
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-methylquinoxaline-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 ethyl 3-methylquinoxaline-2-carboxylate?
The IUPAC name of ethyl 3-methylquinoxaline-2-carboxylate (CID 589024) is ethyl 3-methylquinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 3-methylquinoxaline-2-carboxylate?
The canonical SMILES for ethyl 3-methylquinoxaline-2-carboxylate is CCOC(=O)c1nc2ccccc2nc1C.
What is the InChIKey of ethyl 3-methylquinoxaline-2-carboxylate?
The InChIKey is IRZHLIWGVQPMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-3-16-12(15)11-8(2)13-9-6-4-5-7-10(9)14-11/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 3-methylquinoxaline-2-carboxylate?
ethyl 3-methylquinoxaline-2-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methylquinoxaline-2-carboxylate is sourced from PubChem (CID 589024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).