4-(1-ethylimidazol-4-yl)sulfonyl-1,3-dihydroquinoxalin-2-one

C13H14N4O3S — CID 79369663

IUPAC4-(1-ethylimidazol-4-yl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCCn1cnc(S(=O)(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C13H14N4O3S/c1-2-16-8-13(14-9-16)21(19,20)17-7-12(18)15-10-5-3-4-6-11(10)17/h3-6,8-9H,2,7H2,1H3,(H,15,18)
InChIKeyOJHZAXNRQRPGIE-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.05
Rot. Bonds3

About 4-(1-ethylimidazol-4-yl)sulfonyl-1,3-dihydroquinoxalin-2-one

4-(1-ethylimidazol-4-yl)sulfonyl-1,3-dihydroquinoxalin-2-one (PubChem CID 79369663) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 4-(1-ethylimidazol-4-yl)sulfonyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(1-ethylimidazol-4-yl)sulfonyl-1,3-dihydroquinoxalin-2-one
PubChem CID79369663
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name4-(1-ethylimidazol-4-yl)sulfonyl-1,3-dihydroquinoxalin-2-one
SMILESCCn1cnc(S(=O)(=O)N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C13H14N4O3S/c1-2-16-8-13(14-9-16)21(19,20)17-7-12(18)15-10-5-3-4-6-11(10)17/h3-6,8-9H,2,7H2,1H3,(H,15,18)
InChIKeyOJHZAXNRQRPGIE-UHFFFAOYSA-N
XLogP1.05
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylimidazol-4-yl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(1-ethylimidazol-4-yl)sulfonyl-1,3-dihydroquinoxalin-2-one (CID 79369663) is 4-(1-ethylimidazol-4-yl)sulfonyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(1-ethylimidazol-4-yl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(1-ethylimidazol-4-yl)sulfonyl-1,3-dihydroquinoxalin-2-one is CCn1cnc(S(=O)(=O)N2CC(=O)Nc3ccccc32)c1.
What is the InChIKey of 4-(1-ethylimidazol-4-yl)sulfonyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is OJHZAXNRQRPGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-2-16-8-13(14-9-16)21(19,20)17-7-12(18)15-10-5-3-4-6-11(10)17/h3-6,8-9H,2,7H2,1H3,(H,15,18).
What are the key properties of 4-(1-ethylimidazol-4-yl)sulfonyl-1,3-dihydroquinoxalin-2-one?
4-(1-ethylimidazol-4-yl)sulfonyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 306.35 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylimidazol-4-yl)sulfonyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 79369663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).