4-hydroxy-8-nitro-1H-quinoxaline-2,3-dione

C8H5N3O5 — CID 14002040

IUPAC4-hydroxy-8-nitro-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2c([N+](=O)[O-])cccc2n(O)c1=O
InChIInChI=1S/C8H5N3O5/c12-7-8(13)10(14)4-2-1-3-5(11(15)16)6(4)9-7/h1-3,14H,(H,9,12)
InChIKeyBRUXCHPLJWZQLM-UHFFFAOYSA-N
MW223.14 g/mol
LogP-0.16
Rot. Bonds1

About 4-hydroxy-8-nitro-1H-quinoxaline-2,3-dione

4-hydroxy-8-nitro-1H-quinoxaline-2,3-dione (PubChem CID 14002040) has the molecular formula C8H5N3O5 and a molecular weight of 223.14 g/mol. Its IUPAC name is 4-hydroxy-8-nitro-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name4-hydroxy-8-nitro-1H-quinoxaline-2,3-dione
PubChem CID14002040
Molecular FormulaC8H5N3O5
Molecular Weight223.14 g/mol
Exact Mass223.02
IUPAC Name4-hydroxy-8-nitro-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2c([N+](=O)[O-])cccc2n(O)c1=O
InChIInChI=1S/C8H5N3O5/c12-7-8(13)10(14)4-2-1-3-5(11(15)16)6(4)9-7/h1-3,14H,(H,9,12)
InChIKeyBRUXCHPLJWZQLM-UHFFFAOYSA-N
XLogP-0.16
TPSA118.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.14
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', '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

1,4-dimethyl-5-nitroquinoxaline-2,3-dione
CID 177185302
(8-nitro-2-oxo-1H-quinolin-3-yl) acetate
CID 13419757
4-hydroxy-7-nitro-6-(1,2,4-triazol-1-yl)-1H-quinoxaline-2,3-dione
CID 10684890
3-methyl-7-(2-nitrophenyl)-1H-benzimidazol-2-one;hydrochloride
CID 139758755
1-hydroxy-6-methyl-8-nitro-4H-pyrido[2,3-b]pyrazine-2,3-dione
CID 57021774
8-nitro-1H-3,1-benzoxazine-2,4-dione
CID 10899806
2,3-dimethyl-8-nitro-1H-quinolin-4-one
CID 139782421
(3Z,6Z)-3,6-bis[(2-nitrophenyl)methylidene]piperazine-2,5-dione
CID 6533590
ethane;1-methyl-4-nitroindole
CID 143310904
4-nitro-1H-quinoxaline-2,3-dione
CID 54430486
ethyl 4-nitro-3-oxo-2H-indazole-1-carboxylate
CID 19805529
6-bromo-10-nitro-1,4-dihydrobenzo[f]quinoxaline-2,3-dione
CID 15066340

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-8-nitro-1H-quinoxaline-2,3-dione?
The IUPAC name of 4-hydroxy-8-nitro-1H-quinoxaline-2,3-dione (CID 14002040) is 4-hydroxy-8-nitro-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 4-hydroxy-8-nitro-1H-quinoxaline-2,3-dione?
The canonical SMILES for 4-hydroxy-8-nitro-1H-quinoxaline-2,3-dione is O=c1[nH]c2c([N+](=O)[O-])cccc2n(O)c1=O.
What is the InChIKey of 4-hydroxy-8-nitro-1H-quinoxaline-2,3-dione?
The InChIKey is BRUXCHPLJWZQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O5/c12-7-8(13)10(14)4-2-1-3-5(11(15)16)6(4)9-7/h1-3,14H,(H,9,12).
What are the key properties of 4-hydroxy-8-nitro-1H-quinoxaline-2,3-dione?
4-hydroxy-8-nitro-1H-quinoxaline-2,3-dione has a molecular weight of 223.14 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-nitro-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 14002040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).