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

C15H9F2N3O — CID 107933307

IUPAC2,3-difluoro-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
SMILESN#Cc1ccc(N2CC(=O)Nc3ccccc32)c(F)c1F
InChIInChI=1S/C15H9F2N3O/c16-14-9(7-18)5-6-12(15(14)17)20-8-13(21)19-10-3-1-2-4-11(10)20/h1-6H,8H2,(H,19,21)
InChIKeyOEJDIIIPKVUKCW-UHFFFAOYSA-N
MW285.25 g/mol
LogP2.93
Rot. Bonds1

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

2,3-difluoro-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile (PubChem CID 107933307) has the molecular formula C15H9F2N3O and a molecular weight of 285.25 g/mol. Its IUPAC name is 2,3-difluoro-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile.

Molecular Properties

Compound Name2,3-difluoro-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
PubChem CID107933307
Molecular FormulaC15H9F2N3O
Molecular Weight285.25 g/mol
Exact Mass285.07
IUPAC Name2,3-difluoro-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
SMILESN#Cc1ccc(N2CC(=O)Nc3ccccc32)c(F)c1F
InChIInChI=1S/C15H9F2N3O/c16-14-9(7-18)5-6-12(15(14)17)20-8-13(21)19-10-3-1-2-4-11(10)20/h1-6H,8H2,(H,19,21)
InChIKeyOEJDIIIPKVUKCW-UHFFFAOYSA-N
XLogP2.93
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-difluoro-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 28822343
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
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-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
CID 28822158
4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,3-dihydroquinoxalin-2-one
CID 63370746
4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 117006597
4-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-2,3-difluorobenzonitrile
CID 107934097
3-fluoro-4-[(3-oxo-2,4-dihydroquinoxalin-1-yl)methyl]benzonitrile
CID 28822230
4-[4-(aminomethyl)-2-bromophenyl]-1,3-dihydroquinoxalin-2-one
CID 82794081

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile?
The IUPAC name of 2,3-difluoro-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile (CID 107933307) is 2,3-difluoro-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile.
What is the SMILES notation for 2,3-difluoro-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile?
The canonical SMILES for 2,3-difluoro-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile is N#Cc1ccc(N2CC(=O)Nc3ccccc32)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile?
The InChIKey is OEJDIIIPKVUKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3O/c16-14-9(7-18)5-6-12(15(14)17)20-8-13(21)19-10-3-1-2-4-11(10)20/h1-6H,8H2,(H,19,21).
What are the key properties of 2,3-difluoro-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile?
2,3-difluoro-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile has a molecular weight of 285.25 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile is sourced from PubChem (CID 107933307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).