2-(hydroxyamino)quinoline-3-carbonitrile

C10H7N3O — CID 130500627

IUPAC2-(hydroxyamino)quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1NO
InChIInChI=1S/C10H7N3O/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13-14/h1-5,14H,(H,12,13)
InChIKeyARGUOBYBZPGOOG-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.91
Rot. Bonds1

About 2-(hydroxyamino)quinoline-3-carbonitrile

2-(hydroxyamino)quinoline-3-carbonitrile (PubChem CID 130500627) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-(hydroxyamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(hydroxyamino)quinoline-3-carbonitrile
PubChem CID130500627
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name2-(hydroxyamino)quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1NO
InChIInChI=1S/C10H7N3O/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13-14/h1-5,14H,(H,12,13)
InChIKeyARGUOBYBZPGOOG-UHFFFAOYSA-N
XLogP1.91
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]quinoline-3-carbonitrile
CID 79250182
2-[(4-methylphenyl)methylamino]quinoline-3-carbonitrile
CID 62090812
CID 10263377
CID 10263377
2-[(2-hydroxy-4-methylpentyl)amino]quinoline-3-carbonitrile
CID 103736444
3-[(3-cyanoquinolin-2-yl)amino]-2,2-dimethylpropanamide
CID 103736415
N-tert-butyl-2-[(3-cyanoquinolin-2-yl)amino]acetamide
CID 79834245
2-(hydroxymethyl)quinoline-3-carbonitrile
CID 83383623
2-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile
CID 62090102
2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile
CID 64911454
2-[(2-methylcyclopropyl)methylamino]quinoline-3-carbonitrile
CID 113463859
2-(2-chloro-6-methylanilino)quinoline-3-carbonitrile
CID 66255713
2-(2-bromo-6-fluoroanilino)quinoline-3-carbonitrile
CID 107600392

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)quinoline-3-carbonitrile?
The IUPAC name of 2-(hydroxyamino)quinoline-3-carbonitrile (CID 130500627) is 2-(hydroxyamino)quinoline-3-carbonitrile.
What is the SMILES notation for 2-(hydroxyamino)quinoline-3-carbonitrile?
The canonical SMILES for 2-(hydroxyamino)quinoline-3-carbonitrile is N#Cc1cc2ccccc2nc1NO.
What is the InChIKey of 2-(hydroxyamino)quinoline-3-carbonitrile?
The InChIKey is ARGUOBYBZPGOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13-14/h1-5,14H,(H,12,13).
What are the key properties of 2-(hydroxyamino)quinoline-3-carbonitrile?
2-(hydroxyamino)quinoline-3-carbonitrile has a molecular weight of 185.19 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)quinoline-3-carbonitrile is sourced from PubChem (CID 130500627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).