2-oxo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxaline-6-carbonitrile

C13H9N3OS — CID 113444626

IUPAC2-oxo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxaline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)NC(c1cccs1)C(=O)N2
InChIInChI=1S/C13H9N3OS/c14-7-8-3-4-9-10(6-8)15-12(13(17)16-9)11-2-1-5-18-11/h1-6,12,15H,(H,16,17)
InChIKeyCQSOGHGPNNOBCK-UHFFFAOYSA-N
MW255.30 g/mol
LogP2.73
Rot. Bonds1

About 2-oxo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxaline-6-carbonitrile

2-oxo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxaline-6-carbonitrile (PubChem CID 113444626) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-oxo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name2-oxo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxaline-6-carbonitrile
PubChem CID113444626
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC Name2-oxo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxaline-6-carbonitrile
SMILESN#Cc1ccc2c(c1)NC(c1cccs1)C(=O)N2
InChIInChI=1S/C13H9N3OS/c14-7-8-3-4-9-10(6-8)15-12(13(17)16-9)11-2-1-5-18-11/h1-6,12,15H,(H,16,17)
InChIKeyCQSOGHGPNNOBCK-UHFFFAOYSA-N
XLogP2.73
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxaline-6-carbonitrile?
The IUPAC name of 2-oxo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxaline-6-carbonitrile (CID 113444626) is 2-oxo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxaline-6-carbonitrile.
What is the SMILES notation for 2-oxo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxaline-6-carbonitrile?
The canonical SMILES for 2-oxo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxaline-6-carbonitrile is N#Cc1ccc2c(c1)NC(c1cccs1)C(=O)N2.
What is the InChIKey of 2-oxo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxaline-6-carbonitrile?
The InChIKey is CQSOGHGPNNOBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS/c14-7-8-3-4-9-10(6-8)15-12(13(17)16-9)11-2-1-5-18-11/h1-6,12,15H,(H,16,17).
What are the key properties of 2-oxo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxaline-6-carbonitrile?
2-oxo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxaline-6-carbonitrile has a molecular weight of 255.30 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-thiophen-2-yl-3,4-dihydro-1H-quinoxaline-6-carbonitrile is sourced from PubChem (CID 113444626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).