6-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile

C14H10N4O — CID 28822352

IUPAC6-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CC(=O)Nc3ccccc32)nc1
InChIInChI=1S/C14H10N4O/c15-7-10-5-6-13(16-8-10)18-9-14(19)17-11-3-1-2-4-12(11)18/h1-6,8H,9H2,(H,17,19)
InChIKeyKBZQCYGHPIQPEE-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.04
Rot. Bonds1

About 6-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile

6-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile (PubChem CID 28822352) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 6-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile
PubChem CID28822352
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name6-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CC(=O)Nc3ccccc32)nc1
InChIInChI=1S/C14H10N4O/c15-7-10-5-6-13(16-8-10)18-9-14(19)17-11-3-1-2-4-12(11)18/h1-6,8H,9H2,(H,17,19)
InChIKeyKBZQCYGHPIQPEE-UHFFFAOYSA-N
XLogP2.04
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile
CID 28822354
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 28822343
2,3-difluoro-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 107933307
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
4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile
CID 7818538
4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one
CID 61228469
6-(2,5-dioxopyrrolidin-1-yl)pyridine-3-carbonitrile
CID 71813200
4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 117006597
4-(5-bromo-2-chloropyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
CID 79076681
4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one
CID 15894106

Frequently Asked Questions

What is the IUPAC name of 6-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile (CID 28822352) is 6-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile is N#Cc1ccc(N2CC(=O)Nc3ccccc32)nc1.
What is the InChIKey of 6-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile?
The InChIKey is KBZQCYGHPIQPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c15-7-10-5-6-13(16-8-10)18-9-14(19)17-11-3-1-2-4-12(11)18/h1-6,8H,9H2,(H,17,19).
What are the key properties of 6-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile?
6-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile has a molecular weight of 250.26 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 28822352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).