6-nitro-1,4-dihydroquinoxaline-2,3-dione

C8H5N3O4 — CID 4038142

IUPAC6-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]c1=O
InChIInChI=1S/C8H5N3O4/c12-7-8(13)10-6-3-4(11(14)15)1-2-5(6)9-7/h1-3H,(H,9,12)(H,10,13)
InChIKeyRYMLSFWVYNAKAR-UHFFFAOYSA-N
MW207.15 g/mol
LogP0.12
Rot. Bonds1

About 6-nitro-1,4-dihydroquinoxaline-2,3-dione

6-nitro-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 4038142) has the molecular formula C8H5N3O4 and a molecular weight of 207.15 g/mol. Its IUPAC name is 6-nitro-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-nitro-1,4-dihydroquinoxaline-2,3-dione
PubChem CID4038142
Molecular FormulaC8H5N3O4
Molecular Weight207.15 g/mol
Exact Mass207.03
IUPAC Name6-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]c1=O
InChIInChI=1S/C8H5N3O4/c12-7-8(13)10-6-3-4(11(14)15)1-2-5(6)9-7/h1-3H,(H,9,12)(H,10,13)
InChIKeyRYMLSFWVYNAKAR-UHFFFAOYSA-N
XLogP0.12
TPSA108.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-nitro-1H-quinazoline-2,4-dione
CID 3398113
4-hydroxy-3,6-dinitro-1H-quinolin-2-one
CID 54696471
6-bromo-9-nitro-1,4-dihydrobenzo[f]quinoxaline-2,3-dione
CID 15066339
2-methyl-6-nitro-1H-benzimidazol-3-ium
CID 5142307
3-(methylamino)-6-nitro-1H-quinoxalin-2-one
CID 101049374
3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole
CID 11653124
1-amino-9-nitro-4H-benzo[f]quinoxaline-2,3-dione
CID 19074506
7-nitro-3-phenyl-1H-quinoxalin-2-one
CID 10754287
5-[(2-chloro-5-nitrophenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
CID 3100348
(4-nitro-2-thiophen-2-ylphenyl) 2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonate
CID 24622192
2-methyl-7-nitro-1H-quinolin-4-one
CID 10703350
6-nitro-1H-quinoxalin-2-one
CID 1042919

Frequently Asked Questions

What is the IUPAC name of 6-nitro-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-nitro-1,4-dihydroquinoxaline-2,3-dione (CID 4038142) is 6-nitro-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-nitro-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-nitro-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]c1=O.
What is the InChIKey of 6-nitro-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is RYMLSFWVYNAKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O4/c12-7-8(13)10-6-3-4(11(14)15)1-2-5(6)9-7/h1-3H,(H,9,12)(H,10,13).
What are the key properties of 6-nitro-1,4-dihydroquinoxaline-2,3-dione?
6-nitro-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 207.15 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 4038142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).