ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate

C12H12N2O3 — CID 18008890

IUPACethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C12H12N2O3/c1-3-17-12(16)10-11(15)14-8-5-4-7(2)6-9(8)13-10/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyFIGCVWVQHLQPQV-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.41
Rot. Bonds2

About ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate

ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate (PubChem CID 18008890) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate
PubChem CID18008890
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Nameethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(C)ccc2[nH]c1=O
InChIInChI=1S/C12H12N2O3/c1-3-17-12(16)10-11(15)14-8-5-4-7(2)6-9(8)13-10/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyFIGCVWVQHLQPQV-UHFFFAOYSA-N
XLogP1.41
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 7-methyl-3-oxo-4H-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 ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate?
The IUPAC name of ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate (CID 18008890) is ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate is CCOC(=O)c1nc2cc(C)ccc2[nH]c1=O.
What is the InChIKey of ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate?
The InChIKey is FIGCVWVQHLQPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-3-17-12(16)10-11(15)14-8-5-4-7(2)6-9(8)13-10/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate?
ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate is sourced from PubChem (CID 18008890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).