4-aminooxy-1,3-dihydroquinoxalin-2-one

C8H9N3O2 — CID 176828286

IUPAC4-aminooxy-1,3-dihydroquinoxalin-2-one
SMILESNON1CC(=O)Nc2ccccc21
InChIInChI=1S/C8H9N3O2/c9-13-11-5-8(12)10-6-3-1-2-4-7(6)11/h1-4H,5,9H2,(H,10,12)
InChIKeyPKGUZYBULMXVQY-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.25
Rot. Bonds1

About 4-aminooxy-1,3-dihydroquinoxalin-2-one

4-aminooxy-1,3-dihydroquinoxalin-2-one (PubChem CID 176828286) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 4-aminooxy-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-aminooxy-1,3-dihydroquinoxalin-2-one
PubChem CID176828286
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name4-aminooxy-1,3-dihydroquinoxalin-2-one
SMILESNON1CC(=O)Nc2ccccc21
InChIInChI=1S/C8H9N3O2/c9-13-11-5-8(12)10-6-3-1-2-4-7(6)11/h1-4H,5,9H2,(H,10,12)
InChIKeyPKGUZYBULMXVQY-UHFFFAOYSA-N
XLogP0.25
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.25
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

4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
CID 28822158
4-benzyl-1,3-dihydroquinoxalin-2-one
CID 759495
4-[(4-aminophenyl)methyl]-1,3-dihydroquinoxalin-2-one
CID 28822188
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 28822343
2-hydroxyethyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate
CID 79345427
1-(2-aminophenyl)imidazolidine-2,4-dione
CID 83818017
3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanamide
CID 55028632
4-(2-chloroethylsulfonyl)-1,3-dihydroquinoxalin-2-one
CID 107650918
2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetohydrazide
CID 43164015
4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 117006597
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191513
4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 30094711

Frequently Asked Questions

What is the IUPAC name of 4-aminooxy-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-aminooxy-1,3-dihydroquinoxalin-2-one (CID 176828286) is 4-aminooxy-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-aminooxy-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-aminooxy-1,3-dihydroquinoxalin-2-one is NON1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-aminooxy-1,3-dihydroquinoxalin-2-one?
The InChIKey is PKGUZYBULMXVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c9-13-11-5-8(12)10-6-3-1-2-4-7(6)11/h1-4H,5,9H2,(H,10,12).
What are the key properties of 4-aminooxy-1,3-dihydroquinoxalin-2-one?
4-aminooxy-1,3-dihydroquinoxalin-2-one has a molecular weight of 179.18 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminooxy-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 176828286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).