[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] thiophene-2-carboxylate

C17H16N2O4S — CID 8631619

IUPAC[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] thiophene-2-carboxylate
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cccs1
InChIInChI=1S/C17H16N2O4S/c1-17(2)16(22)18-11-6-3-4-7-12(11)19(17)14(20)10-23-15(21)13-8-5-9-24-13/h3-9H,10H2,1-2H3,(H,18,22)
InChIKeyUHBNCQJRGUXWTL-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.67
Rot. Bonds3

About [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] thiophene-2-carboxylate

[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] thiophene-2-carboxylate (PubChem CID 8631619) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] thiophene-2-carboxylate
PubChem CID8631619
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] thiophene-2-carboxylate
SMILESCC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cccs1
InChIInChI=1S/C17H16N2O4S/c1-17(2)16(22)18-11-6-3-4-7-12(11)19(17)14(20)10-23-15(21)13-8-5-9-24-13/h3-9H,10H2,1-2H3,(H,18,22)
InChIKeyUHBNCQJRGUXWTL-UHFFFAOYSA-N
XLogP2.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.67
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-(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-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 2432753
[1-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 4606346
CID 11834431
CID 11834431
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 16320944
[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
(N-phenylcarbamoyl)methyl thiophene-2-carboxylate
CID 1078163

Frequently Asked Questions

What is the IUPAC name of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] thiophene-2-carboxylate?
The IUPAC name of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] thiophene-2-carboxylate (CID 8631619) is [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] thiophene-2-carboxylate.
What is the SMILES notation for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] thiophene-2-carboxylate?
The canonical SMILES for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] thiophene-2-carboxylate is CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cccs1.
What is the InChIKey of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] thiophene-2-carboxylate?
The InChIKey is UHBNCQJRGUXWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-17(2)16(22)18-11-6-3-4-7-12(11)19(17)14(20)10-23-15(21)13-8-5-9-24-13/h3-9H,10H2,1-2H3,(H,18,22).
What are the key properties of [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] thiophene-2-carboxylate?
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] thiophene-2-carboxylate has a molecular weight of 344.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] thiophene-2-carboxylate is sourced from PubChem (CID 8631619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).