4-hydroxy-3-oxoquinoxaline-2-carbonitrile

C9H5N3O2 — CID 10442447

IUPAC4-hydroxy-3-oxoquinoxaline-2-carbonitrile
SMILESN#Cc1nc2ccccc2n(O)c1=O
InChIInChI=1S/C9H5N3O2/c10-5-7-9(13)12(14)8-4-2-1-3-6(8)11-7/h1-4,14H
InChIKeyYJPJNXNZNLGVDR-UHFFFAOYSA-N
MW187.16 g/mol
LogP0.51
Rot. Bonds

About 4-hydroxy-3-oxoquinoxaline-2-carbonitrile

4-hydroxy-3-oxoquinoxaline-2-carbonitrile (PubChem CID 10442447) has the molecular formula C9H5N3O2 and a molecular weight of 187.16 g/mol. Its IUPAC name is 4-hydroxy-3-oxoquinoxaline-2-carbonitrile.

Molecular Properties

Compound Name4-hydroxy-3-oxoquinoxaline-2-carbonitrile
PubChem CID10442447
Molecular FormulaC9H5N3O2
Molecular Weight187.16 g/mol
Exact Mass187.04
IUPAC Name4-hydroxy-3-oxoquinoxaline-2-carbonitrile
SMILESN#Cc1nc2ccccc2n(O)c1=O
InChIInChI=1S/C9H5N3O2/c10-5-7-9(13)12(14)8-4-2-1-3-6(8)11-7/h1-4,14H
InChIKeyYJPJNXNZNLGVDR-UHFFFAOYSA-N
XLogP0.51
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoxaline-4-carbonitrile
CID 10750979
3,10-dimethyl-4-oxopyrimido[1,2-a]benzimidazole-2-carbonitrile
CID 142193038
1-hydroxy-2-phenylbenzimidazole
CID 606555
(2E)-2-(hydroxymethylidene)-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile
CID 135496360
2-(3-cyanoquinoxalin-2-yl)sulfanylacetamide
CID 171987879
4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile
CID 92967136
1-(1-hydroxybenzimidazol-2-yl)ethanol
CID 83387830
5-methylbenzimidazolo[2,1-b]quinazolin-12-one
CID 13458566
1-hydroxy-2-(1,1,2,2,2-pentafluoroethyl)benzimidazole
CID 154377012
2-oxo-10-thia-3,14,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),4,6,8,11,13,15,17,19-nonaene-12-carbonitrile
CID 23911807
17-methyl-11-oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaene-15-carbonitrile
CID 121425929
1-benzoylindazole-3-carbonitrile
CID 71818548

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-oxoquinoxaline-2-carbonitrile?
The IUPAC name of 4-hydroxy-3-oxoquinoxaline-2-carbonitrile (CID 10442447) is 4-hydroxy-3-oxoquinoxaline-2-carbonitrile.
What is the SMILES notation for 4-hydroxy-3-oxoquinoxaline-2-carbonitrile?
The canonical SMILES for 4-hydroxy-3-oxoquinoxaline-2-carbonitrile is N#Cc1nc2ccccc2n(O)c1=O.
What is the InChIKey of 4-hydroxy-3-oxoquinoxaline-2-carbonitrile?
The InChIKey is YJPJNXNZNLGVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O2/c10-5-7-9(13)12(14)8-4-2-1-3-6(8)11-7/h1-4,14H.
What are the key properties of 4-hydroxy-3-oxoquinoxaline-2-carbonitrile?
4-hydroxy-3-oxoquinoxaline-2-carbonitrile has a molecular weight of 187.16 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-oxoquinoxaline-2-carbonitrile is sourced from PubChem (CID 10442447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).