[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methylthiophene-2-carboxylate

C16H14N2O4S — CID 2552718

IUPAC[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)s1
InChIInChI=1S/C16H14N2O4S/c1-10-6-7-13(23-10)16(21)22-9-15(20)18-8-14(19)17-11-4-2-3-5-12(11)18/h2-7H,8-9H2,1H3,(H,17,19)
InChIKeyPDTHNLLAZXYMNI-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.20
Rot. Bonds3

About [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methylthiophene-2-carboxylate

[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methylthiophene-2-carboxylate (PubChem CID 2552718) 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] 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methylthiophene-2-carboxylate
PubChem CID2552718
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Name[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)s1
InChIInChI=1S/C16H14N2O4S/c1-10-6-7-13(23-10)16(21)22-9-15(20)18-8-14(19)17-11-4-2-3-5-12(11)18/h2-7H,8-9H2,1H3,(H,17,19)
InChIKeyPDTHNLLAZXYMNI-UHFFFAOYSA-N
XLogP2.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate
CID 2104995
2-[[4-(Acetylamino)phenyl]amino]-2-oxoethyl 5-methyl-2-thiophenecarboxylate
CID 2378830
[2-[4-[Ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] thiophene-2-carboxylate
CID 2413185
[2-[[2-(4-Fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4,5-dibromothiophene-2-carboxylate
CID 2545502
[1-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 4606346
[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-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] thiophene-2-carboxylate
CID 2645812
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] thiophene-2-carboxylate
CID 8631619
Ethyl 3-methyl-5-[[2-[2-(2-oxoquinoxalin-1-yl)acetyl]oxyacetyl]amino]thiophene-2-carboxylate
CID 45861615
[2-[4-[Ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2363572

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methylthiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methylthiophene-2-carboxylate (CID 2552718) is [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methylthiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)s1.
What is the InChIKey of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methylthiophene-2-carboxylate?
The InChIKey is PDTHNLLAZXYMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-10-6-7-13(23-10)16(21)22-9-15(20)18-8-14(19)17-11-4-2-3-5-12(11)18/h2-7H,8-9H2,1H3,(H,17,19).
What are the key properties of [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methylthiophene-2-carboxylate?
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 5-methylthiophene-2-carboxylate has a molecular weight of 330.37 g/mol, XLogP of 2.20, 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] 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 2552718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).