4-(2-thiophen-3-ylacetyl)-1,3-dihydroquinoxalin-2-one

C14H12N2O2S — CID 2395083

IUPAC4-(2-thiophen-3-ylacetyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)Cc2ccsc2)c2ccccc2N1
InChIInChI=1S/C14H12N2O2S/c17-13-8-16(12-4-2-1-3-11(12)15-13)14(18)7-10-5-6-19-9-10/h1-6,9H,7-8H2,(H,15,17)
InChIKeyUGMQJIKXEXJDFM-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.28
Rot. Bonds2

About 4-(2-thiophen-3-ylacetyl)-1,3-dihydroquinoxalin-2-one

4-(2-thiophen-3-ylacetyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 2395083) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-(2-thiophen-3-ylacetyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2-thiophen-3-ylacetyl)-1,3-dihydroquinoxalin-2-one
PubChem CID2395083
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name4-(2-thiophen-3-ylacetyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)Cc2ccsc2)c2ccccc2N1
InChIInChI=1S/C14H12N2O2S/c17-13-8-16(12-4-2-1-3-11(12)15-13)14(18)7-10-5-6-19-9-10/h1-6,9H,7-8H2,(H,15,17)
InChIKeyUGMQJIKXEXJDFM-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-hydroxy-4-[[(2R)-3-oxo-2-(thiophen-2-ylmethyl)-2,4-dihydroquinoxalin-1-yl]methyl]benzamide
CID 16661454
N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide
CID 2813415
4-(4,5-Dibromothiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 2100759
N-(3,5-dimethylphenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 9266840
3-methyl-N-[2-(pyrrolidin-1-yl)phenyl]thiophene-2-carboxamide
CID 24983095
4-(((S)-2,3-dihydro-2-oxo-3-((thiophen-2-yl)methyl)quinoxalin-4(1H)-yl)methyl)-N-hydroxybenzamide
CID 16661453
1-acetyl-N-(2-amino-5-thiophen-2-ylphenyl)piperidine-4-carboxamide
CID 71466578
4-(3-Methylthiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 2100758
[2-Oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-thiophen-3-ylacetate
CID 2104995
4-(Thiophene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 2142327
N-Cyclopentyl-2-[phenyl-(2-thiophen-2-yl-acetyl)-amino]-2-thiophen-3-yl-acetamide
CID 3202491
N-Cyclohexyl-2-phenyl-2-[phenyl-(2-thiophen-3-yl-acetyl)-amino]-acetamide
CID 3215268

Frequently Asked Questions

What is the IUPAC name of 4-(2-thiophen-3-ylacetyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2-thiophen-3-ylacetyl)-1,3-dihydroquinoxalin-2-one (CID 2395083) is 4-(2-thiophen-3-ylacetyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2-thiophen-3-ylacetyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2-thiophen-3-ylacetyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)Cc2ccsc2)c2ccccc2N1.
What is the InChIKey of 4-(2-thiophen-3-ylacetyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is UGMQJIKXEXJDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c17-13-8-16(12-4-2-1-3-11(12)15-13)14(18)7-10-5-6-19-9-10/h1-6,9H,7-8H2,(H,15,17).
What are the key properties of 4-(2-thiophen-3-ylacetyl)-1,3-dihydroquinoxalin-2-one?
4-(2-thiophen-3-ylacetyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 272.33 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiophen-3-ylacetyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2395083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).