6-nitro-1H-quinoxalin-2-one

C8H5N3O3 — CID 1042919

IUPAC6-nitro-1H-quinoxalin-2-one
SMILESO=c1cnc2cc([N+](=O)[O-])ccc2[nH]1
InChIInChI=1S/C8H5N3O3/c12-8-4-9-7-3-5(11(13)14)1-2-6(7)10-8/h1-4H,(H,10,12)
InChIKeyOEAOPCQDVJKMQC-UHFFFAOYSA-N
MW191.15 g/mol
LogP0.83
Rot. Bonds1

About 6-nitro-1H-quinoxalin-2-one

6-nitro-1H-quinoxalin-2-one (PubChem CID 1042919) has the molecular formula C8H5N3O3 and a molecular weight of 191.15 g/mol. Its IUPAC name is 6-nitro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-nitro-1H-quinoxalin-2-one
PubChem CID1042919
Molecular FormulaC8H5N3O3
Molecular Weight191.15 g/mol
Exact Mass191.03
IUPAC Name6-nitro-1H-quinoxalin-2-one
SMILESO=c1cnc2cc([N+](=O)[O-])ccc2[nH]1
InChIInChI=1S/C8H5N3O3/c12-8-4-9-7-3-5(11(13)14)1-2-6(7)10-8/h1-4H,(H,10,12)
InChIKeyOEAOPCQDVJKMQC-UHFFFAOYSA-N
XLogP0.83
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1H-quinoxalin-2-one;dihydrochloride
CID 141445979
3-(methylamino)-6-nitro-1H-quinoxalin-2-one
CID 101049374
6-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 4038142
N-methyl-7-nitroquinoxalin-2-amine
CID 119087544
7-methyl-1H-quinoxalin-2-one
CID 583114
4-hydroxy-3,6-dinitro-1H-quinolin-2-one
CID 54696471
3-(4-nitrophenyl)-1H-1,2,4-triazin-6-one
CID 70248032
silver 6-nitro-1H-benzimidazole
CID 19981768
ethane;6-nitroquinoxaline
CID 143926485
potassium;6-nitro-1H-benzimidazole;bromide
CID 159548284
3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one
CID 135403094
ethane;2-methyl-6-nitro-1H-benzimidazole
CID 90798805

Frequently Asked Questions

What is the IUPAC name of 6-nitro-1H-quinoxalin-2-one?
The IUPAC name of 6-nitro-1H-quinoxalin-2-one (CID 1042919) is 6-nitro-1H-quinoxalin-2-one.
What is the SMILES notation for 6-nitro-1H-quinoxalin-2-one?
The canonical SMILES for 6-nitro-1H-quinoxalin-2-one is O=c1cnc2cc([N+](=O)[O-])ccc2[nH]1.
What is the InChIKey of 6-nitro-1H-quinoxalin-2-one?
The InChIKey is OEAOPCQDVJKMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O3/c12-8-4-9-7-3-5(11(13)14)1-2-6(7)10-8/h1-4H,(H,10,12).
What are the key properties of 6-nitro-1H-quinoxalin-2-one?
6-nitro-1H-quinoxalin-2-one has a molecular weight of 191.15 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-1H-quinoxalin-2-one is sourced from PubChem (CID 1042919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).