ethyl 6-ethyl-7-oxo-[1,2,5]thiadiazolo[3,4-h]quinoxaline-8-carboxylate

C13H12N4O3S — CID 46249406

IUPACethyl 6-ethyl-7-oxo-[1,2,5]thiadiazolo[3,4-h]quinoxaline-8-carboxylate
SMILESCCOC(=O)c1nc2c3nsnc3ccc2n(CC)c1=O
InChIInChI=1S/C13H12N4O3S/c1-3-17-8-6-5-7-9(16-21-15-7)10(8)14-11(12(17)18)13(19)20-4-2/h5-6H,3-4H2,1-2H3
InChIKeyFFUWWBNQUUFPDJ-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.60
Rot. Bonds3

About ethyl 6-ethyl-7-oxo-[1,2,5]thiadiazolo[3,4-h]quinoxaline-8-carboxylate

ethyl 6-ethyl-7-oxo-[1,2,5]thiadiazolo[3,4-h]quinoxaline-8-carboxylate (PubChem CID 46249406) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is ethyl 6-ethyl-7-oxo-[1,2,5]thiadiazolo[3,4-h]quinoxaline-8-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethyl-7-oxo-[1,2,5]thiadiazolo[3,4-h]quinoxaline-8-carboxylate
PubChem CID46249406
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Nameethyl 6-ethyl-7-oxo-[1,2,5]thiadiazolo[3,4-h]quinoxaline-8-carboxylate
SMILESCCOC(=O)c1nc2c3nsnc3ccc2n(CC)c1=O
InChIInChI=1S/C13H12N4O3S/c1-3-17-8-6-5-7-9(16-21-15-7)10(8)14-11(12(17)18)13(19)20-4-2/h5-6H,3-4H2,1-2H3
InChIKeyFFUWWBNQUUFPDJ-UHFFFAOYSA-N
XLogP1.60
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 6-ethyl-7-oxo-[1,2,5]thiadiazolo[3,4-h]quinoxaline-8-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 6-ethyl-7-oxo-[1,2,5]thiadiazolo[3,4-h]quinoxaline-8-carboxylate?
The IUPAC name of ethyl 6-ethyl-7-oxo-[1,2,5]thiadiazolo[3,4-h]quinoxaline-8-carboxylate (CID 46249406) is ethyl 6-ethyl-7-oxo-[1,2,5]thiadiazolo[3,4-h]quinoxaline-8-carboxylate.
What is the SMILES notation for ethyl 6-ethyl-7-oxo-[1,2,5]thiadiazolo[3,4-h]quinoxaline-8-carboxylate?
The canonical SMILES for ethyl 6-ethyl-7-oxo-[1,2,5]thiadiazolo[3,4-h]quinoxaline-8-carboxylate is CCOC(=O)c1nc2c3nsnc3ccc2n(CC)c1=O.
What is the InChIKey of ethyl 6-ethyl-7-oxo-[1,2,5]thiadiazolo[3,4-h]quinoxaline-8-carboxylate?
The InChIKey is FFUWWBNQUUFPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-3-17-8-6-5-7-9(16-21-15-7)10(8)14-11(12(17)18)13(19)20-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of ethyl 6-ethyl-7-oxo-[1,2,5]thiadiazolo[3,4-h]quinoxaline-8-carboxylate?
ethyl 6-ethyl-7-oxo-[1,2,5]thiadiazolo[3,4-h]quinoxaline-8-carboxylate has a molecular weight of 304.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethyl-7-oxo-[1,2,5]thiadiazolo[3,4-h]quinoxaline-8-carboxylate is sourced from PubChem (CID 46249406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).