3-(azidomethyl)-1H-quinoxalin-2-one

C9H7N5O — CID 55137763

IUPAC3-(azidomethyl)-1H-quinoxalin-2-one
SMILES[N-]=[N+]=NCc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C9H7N5O/c10-14-11-5-8-9(15)13-7-4-2-1-3-6(7)12-8/h1-4H,5H2,(H,13,15)
InChIKeyAEGXSHHZDJKHLN-UHFFFAOYSA-N
MW201.19 g/mol
LogP1.73
Rot. Bonds2

About 3-(azidomethyl)-1H-quinoxalin-2-one

3-(azidomethyl)-1H-quinoxalin-2-one (PubChem CID 55137763) has the molecular formula C9H7N5O and a molecular weight of 201.19 g/mol. Its IUPAC name is 3-(azidomethyl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(azidomethyl)-1H-quinoxalin-2-one
PubChem CID55137763
Molecular FormulaC9H7N5O
Molecular Weight201.19 g/mol
Exact Mass201.07
IUPAC Name3-(azidomethyl)-1H-quinoxalin-2-one
SMILES[N-]=[N+]=NCc1nc2ccccc2[nH]c1=O
InChIInChI=1S/C9H7N5O/c10-14-11-5-8-9(15)13-7-4-2-1-3-6(7)12-8/h1-4H,5H2,(H,13,15)
InChIKeyAEGXSHHZDJKHLN-UHFFFAOYSA-N
XLogP1.73
TPSA94.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-[(2-hydroxyphenyl)sulfanylmethyl]-1H-quinoxalin-2-one
CID 62000689
3-[[2-aminoethyl(methyl)amino]methyl]-1H-quinoxalin-2-one
CID 55103508
N-[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl]acetamide
CID 11709106
[2-[(3-oxo-4H-quinoxalin-2-yl)methyl]phenyl] acetate
CID 13004252
3-[2-(dimethylamino)ethylsulfanylmethyl]-1H-quinoxalin-2-one
CID 134065176
3-(4-hydroxybutan-2-ylsulfanylmethyl)-1H-quinoxalin-2-one
CID 66135922
3-[(3,4-dichlorophenoxy)methyl]-1H-quinoxalin-2-one
CID 22642574
2-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]propanoic acid
CID 43352484
(2S)-2-[(3-oxo-4H-quinoxalin-2-yl)methoxy]propanoic acid
CID 104876248
3-(4-aminobutan-2-ylsulfanylmethyl)-1H-quinoxalin-2-one
CID 66229525
3-[[cyclohexyl(methyl)amino]methyl]-1H-quinoxalin-2-one
CID 86774445
3-[2-(furan-2-yl)-2-oxoethyl]-1H-quinoxalin-2-one
CID 121209654

Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-1H-quinoxalin-2-one?
The IUPAC name of 3-(azidomethyl)-1H-quinoxalin-2-one (CID 55137763) is 3-(azidomethyl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(azidomethyl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(azidomethyl)-1H-quinoxalin-2-one is [N-]=[N+]=NCc1nc2ccccc2[nH]c1=O.
What is the InChIKey of 3-(azidomethyl)-1H-quinoxalin-2-one?
The InChIKey is AEGXSHHZDJKHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O/c10-14-11-5-8-9(15)13-7-4-2-1-3-6(7)12-8/h1-4H,5H2,(H,13,15).
What are the key properties of 3-(azidomethyl)-1H-quinoxalin-2-one?
3-(azidomethyl)-1H-quinoxalin-2-one has a molecular weight of 201.19 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-1H-quinoxalin-2-one is sourced from PubChem (CID 55137763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).