[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate

C16H14N2O4S — CID 2104995

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate
SMILESO=C1CN(C(=O)COC(=O)Cc2ccsc2)c2ccccc2N1
InChIInChI=1S/C16H14N2O4S/c19-14-8-18(13-4-2-1-3-12(13)17-14)15(20)9-22-16(21)7-11-5-6-23-10-11/h1-6,10H,7-9H2,(H,17,19)
InChIKeyLLLHGXJNNSJUTO-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.82
Rot. Bonds4

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate (PubChem CID 2104995) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate
PubChem CID2104995
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate
SMILESO=C1CN(C(=O)COC(=O)Cc2ccsc2)c2ccccc2N1
InChIInChI=1S/C16H14N2O4S/c19-14-8-18(13-4-2-1-3-12(13)17-14)15(20)9-22-16(21)7-11-5-6-23-10-11/h1-6,10H,7-9H2,(H,17,19)
InChIKeyLLLHGXJNNSJUTO-UHFFFAOYSA-N
XLogP1.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate (CID 2104995) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate is O=C1CN(C(=O)COC(=O)Cc2ccsc2)c2ccccc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate?
The InChIKey is LLLHGXJNNSJUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c19-14-8-18(13-4-2-1-3-12(13)17-14)15(20)9-22-16(21)7-11-5-6-23-10-11/h1-6,10H,7-9H2,(H,17,19).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate has a molecular weight of 330.37 g/mol, XLogP of 1.82, 4 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] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2104995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).