2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile

C15H11N3O — CID 28822343

IUPAC2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
SMILESN#Cc1ccccc1N1CC(=O)Nc2ccccc21
InChIInChI=1S/C15H11N3O/c16-9-11-5-1-3-7-13(11)18-10-15(19)17-12-6-2-4-8-14(12)18/h1-8H,10H2,(H,17,19)
InChIKeyHMLMTABJRGGPSH-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.65
Rot. Bonds1

About 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile

2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile (PubChem CID 28822343) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile.

Molecular Properties

Compound Name2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
PubChem CID28822343
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
SMILESN#Cc1ccccc1N1CC(=O)Nc2ccccc21
InChIInChI=1S/C15H11N3O/c16-9-11-5-1-3-7-13(11)18-10-15(19)17-12-6-2-4-8-14(12)18/h1-8H,10H2,(H,17,19)
InChIKeyHMLMTABJRGGPSH-UHFFFAOYSA-N
XLogP2.65
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 114890428
4-bromo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 114901390
5-methyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 107926990
2,3-difluoro-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 107933307
6-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile
CID 28822352
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile
CID 28822354
4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 117006597
2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile
CID 2706735
2-(2,3-dioxopiperazin-1-yl)benzonitrile
CID 117306341
4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
CID 28822158
4-aminooxy-1,3-dihydroquinoxalin-2-one
CID 176828286
4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one
CID 115994549

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile?
The IUPAC name of 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile (CID 28822343) is 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile.
What is the SMILES notation for 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile?
The canonical SMILES for 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile is N#Cc1ccccc1N1CC(=O)Nc2ccccc21.
What is the InChIKey of 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile?
The InChIKey is HMLMTABJRGGPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c16-9-11-5-1-3-7-13(11)18-10-15(19)17-12-6-2-4-8-14(12)18/h1-8H,10H2,(H,17,19).
What are the key properties of 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile?
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile has a molecular weight of 249.27 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile is sourced from PubChem (CID 28822343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).