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

C14H10N4O — CID 28822354

IUPAC2-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C14H10N4O/c15-8-10-5-6-16-13(7-10)18-9-14(19)17-11-3-1-2-4-12(11)18/h1-7H,9H2,(H,17,19)
InChIKeyDRTXNRULHLZLDP-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.04
Rot. Bonds1

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

2-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile (PubChem CID 28822354) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile
PubChem CID28822354
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name2-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C14H10N4O/c15-8-10-5-6-16-13(7-10)18-9-14(19)17-11-3-1-2-4-12(11)18/h1-7H,9H2,(H,17,19)
InChIKeyDRTXNRULHLZLDP-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

6-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile
CID 28822352
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 28822343
4-[6-(ethylamino)pyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one
CID 80765124
5-bromo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 114890428
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile
CID 55236926
2-(2-methyl-3,5-dioxopiperazin-1-yl)pyridine-4-carbonitrile
CID 66075430
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
4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one
CID 15894106
4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one
CID 80750261
4-(4-cyano-2-pyridinyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
CID 16792127

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile (CID 28822354) is 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile is N#Cc1ccnc(N2CC(=O)Nc3ccccc32)c1.
What is the InChIKey of 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile?
The InChIKey is DRTXNRULHLZLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c15-8-10-5-6-16-13(7-10)18-9-14(19)17-11-3-1-2-4-12(11)18/h1-7H,9H2,(H,17,19).
What are the key properties of 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile?
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-4-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 2-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 28822354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).