ethyl 7-methyl-4-methylsulfanylimidazo[1,5-a]quinoxaline-3-carboxylate

C15H15N3O2S — CID 16732082

IUPACethyl 7-methyl-4-methylsulfanylimidazo[1,5-a]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1ncn2c1c(SC)nc1cc(C)ccc12
InChIInChI=1S/C15H15N3O2S/c1-4-20-15(19)12-13-14(21-3)17-10-7-9(2)5-6-11(10)18(13)8-16-12/h5-8H,4H2,1-3H3
InChIKeyKLZPESKGSIASJA-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.09
Rot. Bonds3

About ethyl 7-methyl-4-methylsulfanylimidazo[1,5-a]quinoxaline-3-carboxylate

ethyl 7-methyl-4-methylsulfanylimidazo[1,5-a]quinoxaline-3-carboxylate (PubChem CID 16732082) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is ethyl 7-methyl-4-methylsulfanylimidazo[1,5-a]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-4-methylsulfanylimidazo[1,5-a]quinoxaline-3-carboxylate
PubChem CID16732082
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Nameethyl 7-methyl-4-methylsulfanylimidazo[1,5-a]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1ncn2c1c(SC)nc1cc(C)ccc12
InChIInChI=1S/C15H15N3O2S/c1-4-20-15(19)12-13-14(21-3)17-10-7-9(2)5-6-11(10)18(13)8-16-12/h5-8H,4H2,1-3H3
InChIKeyKLZPESKGSIASJA-UHFFFAOYSA-N
XLogP3.09
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-4-methylsulfanylimidazo[1,5-a]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 7-methyl-4-methylsulfanylimidazo[1,5-a]quinoxaline-3-carboxylate (CID 16732082) is ethyl 7-methyl-4-methylsulfanylimidazo[1,5-a]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 7-methyl-4-methylsulfanylimidazo[1,5-a]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 7-methyl-4-methylsulfanylimidazo[1,5-a]quinoxaline-3-carboxylate is CCOC(=O)c1ncn2c1c(SC)nc1cc(C)ccc12.
What is the InChIKey of ethyl 7-methyl-4-methylsulfanylimidazo[1,5-a]quinoxaline-3-carboxylate?
The InChIKey is KLZPESKGSIASJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-4-20-15(19)12-13-14(21-3)17-10-7-9(2)5-6-11(10)18(13)8-16-12/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 7-methyl-4-methylsulfanylimidazo[1,5-a]quinoxaline-3-carboxylate?
ethyl 7-methyl-4-methylsulfanylimidazo[1,5-a]quinoxaline-3-carboxylate has a molecular weight of 301.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-4-methylsulfanylimidazo[1,5-a]quinoxaline-3-carboxylate is sourced from PubChem (CID 16732082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).