[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] thiophene-2-carboxylate

C15H12N2O4S — CID 2645812

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] thiophene-2-carboxylate
SMILESO=C1CN(C(=O)COC(=O)c2cccs2)c2ccccc2N1
InChIInChI=1S/C15H12N2O4S/c18-13-8-17(11-5-2-1-4-10(11)16-13)14(19)9-21-15(20)12-6-3-7-22-12/h1-7H,8-9H2,(H,16,18)
InChIKeyNESOIFNNNGIGML-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.89
Rot. Bonds3

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] thiophene-2-carboxylate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] thiophene-2-carboxylate (PubChem CID 2645812) has the molecular formula C15H12N2O4S and a molecular weight of 316.34 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] thiophene-2-carboxylate
PubChem CID2645812
Molecular FormulaC15H12N2O4S
Molecular Weight316.34 g/mol
Exact Mass316.05
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] thiophene-2-carboxylate
SMILESO=C1CN(C(=O)COC(=O)c2cccs2)c2ccccc2N1
InChIInChI=1S/C15H12N2O4S/c18-13-8-17(11-5-2-1-4-10(11)16-13)14(19)9-21-15(20)12-6-3-7-22-12/h1-7H,8-9H2,(H,16,18)
InChIKeyNESOIFNNNGIGML-UHFFFAOYSA-N
XLogP1.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-Nitroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 5202071
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate
CID 2104995
[2-[4-[Ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] thiophene-2-carboxylate
CID 2413185
[2-(3-Morpholin-4-ylsulfonylanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 4275413
[1-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 4606346
CID 11834431
CID 11834431
Methyl 3-[(7-fluoro-2-methyl-3-oxo-2,4-dihydroquinoxalin-1-yl)sulfonyl]thiophene-2-carboxylate
CID 44156987
[2-[[2-(2-Chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 2082531
[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 3-methylthiophene-2-carboxylate
CID 2121446
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-nitrothiophene-2-carboxylate
CID 2403219
[2-(3,4-Difluoroanilino)-2-oxoethyl] thiophene-2-carboxylate
CID 3687826
[2-Oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] thiophene-2-carboxylate
CID 4574297

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] thiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] thiophene-2-carboxylate (CID 2645812) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] thiophene-2-carboxylate is O=C1CN(C(=O)COC(=O)c2cccs2)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] thiophene-2-carboxylate?
The InChIKey is NESOIFNNNGIGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S/c18-13-8-17(11-5-2-1-4-10(11)16-13)14(19)9-21-15(20)12-6-3-7-22-12/h1-7H,8-9H2,(H,16,18).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] thiophene-2-carboxylate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] thiophene-2-carboxylate has a molecular weight of 316.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] thiophene-2-carboxylate is sourced from PubChem (CID 2645812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).