3-(4,5-diphenylthiophen-2-yl)-1H-quinoxalin-2-one

C24H16N2OS — CID 2276415

IUPAC3-(4,5-diphenylthiophen-2-yl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1-c1cc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C24H16N2OS/c27-24-22(25-19-13-7-8-14-20(19)26-24)21-15-18(16-9-3-1-4-10-16)23(28-21)17-11-5-2-6-12-17/h1-15H,(H,26,27)
InChIKeyFQFUBGYYMSJEAE-UHFFFAOYSA-N
MW380.47 g/mol
LogP5.99
Rot. Bonds3

About 3-(4,5-diphenylthiophen-2-yl)-1H-quinoxalin-2-one

3-(4,5-diphenylthiophen-2-yl)-1H-quinoxalin-2-one (PubChem CID 2276415) has the molecular formula C24H16N2OS and a molecular weight of 380.47 g/mol. Its IUPAC name is 3-(4,5-diphenylthiophen-2-yl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(4,5-diphenylthiophen-2-yl)-1H-quinoxalin-2-one
PubChem CID2276415
Molecular FormulaC24H16N2OS
Molecular Weight380.47 g/mol
Exact Mass380.10
IUPAC Name3-(4,5-diphenylthiophen-2-yl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1-c1cc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C24H16N2OS/c27-24-22(25-19-13-7-8-14-20(19)26-24)21-15-18(16-9-3-1-4-10-16)23(28-21)17-11-5-2-6-12-17/h1-15H,(H,26,27)
InChIKeyFQFUBGYYMSJEAE-UHFFFAOYSA-N
XLogP5.99
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.47
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diphenylthiophen-2-yl)-1H-quinoxalin-2-one?
The IUPAC name of 3-(4,5-diphenylthiophen-2-yl)-1H-quinoxalin-2-one (CID 2276415) is 3-(4,5-diphenylthiophen-2-yl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(4,5-diphenylthiophen-2-yl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(4,5-diphenylthiophen-2-yl)-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1-c1cc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of 3-(4,5-diphenylthiophen-2-yl)-1H-quinoxalin-2-one?
The InChIKey is FQFUBGYYMSJEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2OS/c27-24-22(25-19-13-7-8-14-20(19)26-24)21-15-18(16-9-3-1-4-10-16)23(28-21)17-11-5-2-6-12-17/h1-15H,(H,26,27).
What are the key properties of 3-(4,5-diphenylthiophen-2-yl)-1H-quinoxalin-2-one?
3-(4,5-diphenylthiophen-2-yl)-1H-quinoxalin-2-one has a molecular weight of 380.47 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diphenylthiophen-2-yl)-1H-quinoxalin-2-one is sourced from PubChem (CID 2276415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).