1-ethyl-3-thiophen-2-ylquinoxalin-2-one

C14H12N2OS — CID 90202221

IUPAC1-ethyl-3-thiophen-2-ylquinoxalin-2-one
SMILESCCn1c(=O)c(-c2cccs2)nc2ccccc21
InChIInChI=1S/C14H12N2OS/c1-2-16-11-7-4-3-6-10(11)15-13(14(16)17)12-8-5-9-18-12/h3-9H,2H2,1H3
InChIKeyQSPXWIIJVXDBJJ-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.14
Rot. Bonds2

About 1-ethyl-3-thiophen-2-ylquinoxalin-2-one

1-ethyl-3-thiophen-2-ylquinoxalin-2-one (PubChem CID 90202221) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-ethyl-3-thiophen-2-ylquinoxalin-2-one.

Molecular Properties

Compound Name1-ethyl-3-thiophen-2-ylquinoxalin-2-one
PubChem CID90202221
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name1-ethyl-3-thiophen-2-ylquinoxalin-2-one
SMILESCCn1c(=O)c(-c2cccs2)nc2ccccc21
InChIInChI=1S/C14H12N2OS/c1-2-16-11-7-4-3-6-10(11)15-13(14(16)17)12-8-5-9-18-12/h3-9H,2H2,1H3
InChIKeyQSPXWIIJVXDBJJ-UHFFFAOYSA-N
XLogP3.14
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-phenylethyl)-3-thiophen-2-ylquinoxalin-2-one
CID 4789379
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393079
1-ethyl-2,4-diphenyl-5-thiophen-2-ylimidazole
CID 122227297
3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one
CID 162419791
2-(1-ethylbenzimidazol-2-yl)-3-methylquinoxaline
CID 14365362
N-(1-ethylbenzimidazol-2-yl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31870623
1-(methylsulfanylmethyl)-3-phenylquinoxalin-2-one
CID 56693755
1-methyl-2-thiophen-2-ylbenzimidazole
CID 931177
[2-(1-ethylbenzimidazol-2-yl)-1-thiophen-2-ylethyl]hydrazine
CID 105193559
bis(1-ethylbenzimidazol-2-yl)methanone
CID 22887473
1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole
CID 17000270

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-thiophen-2-ylquinoxalin-2-one?
The IUPAC name of 1-ethyl-3-thiophen-2-ylquinoxalin-2-one (CID 90202221) is 1-ethyl-3-thiophen-2-ylquinoxalin-2-one.
What is the SMILES notation for 1-ethyl-3-thiophen-2-ylquinoxalin-2-one?
The canonical SMILES for 1-ethyl-3-thiophen-2-ylquinoxalin-2-one is CCn1c(=O)c(-c2cccs2)nc2ccccc21.
What is the InChIKey of 1-ethyl-3-thiophen-2-ylquinoxalin-2-one?
The InChIKey is QSPXWIIJVXDBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-2-16-11-7-4-3-6-10(11)15-13(14(16)17)12-8-5-9-18-12/h3-9H,2H2,1H3.
What are the key properties of 1-ethyl-3-thiophen-2-ylquinoxalin-2-one?
1-ethyl-3-thiophen-2-ylquinoxalin-2-one has a molecular weight of 256.33 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-thiophen-2-ylquinoxalin-2-one is sourced from PubChem (CID 90202221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).