4-hydroxy-3,6-dinitro-1H-quinolin-2-one

C9H5N3O6 — CID 54696471

IUPAC4-hydroxy-3,6-dinitro-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc([N+](=O)[O-])cc2c(O)c1[N+](=O)[O-]
InChIInChI=1S/C9H5N3O6/c13-8-5-3-4(11(15)16)1-2-6(5)10-9(14)7(8)12(17)18/h1-3H,(H2,10,13,14)
InChIKeyQGHNFWHYFACJLP-UHFFFAOYSA-N
MW251.15 g/mol
LogP1.05
Rot. Bonds2

About 4-hydroxy-3,6-dinitro-1H-quinolin-2-one

4-hydroxy-3,6-dinitro-1H-quinolin-2-one (PubChem CID 54696471) has the molecular formula C9H5N3O6 and a molecular weight of 251.15 g/mol. Its IUPAC name is 4-hydroxy-3,6-dinitro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3,6-dinitro-1H-quinolin-2-one
PubChem CID54696471
Molecular FormulaC9H5N3O6
Molecular Weight251.15 g/mol
Exact Mass251.02
IUPAC Name4-hydroxy-3,6-dinitro-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc([N+](=O)[O-])cc2c(O)c1[N+](=O)[O-]
InChIInChI=1S/C9H5N3O6/c13-8-5-3-4(11(15)16)1-2-6(5)10-9(14)7(8)12(17)18/h1-3H,(H2,10,13,14)
InChIKeyQGHNFWHYFACJLP-UHFFFAOYSA-N
XLogP1.05
TPSA139.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.15
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

6-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 4038142
4-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-nitro-1H-quinolin-2-one
CID 54034148
3-methyl-6-nitro-9H-carbazole
CID 58160212
6-bromo-2,4-dichloro-3-nitroquinoline;6-bromo-4-hydroxy-3-nitro-1H-quinolin-2-one;methane
CID 165029211
3,8-dinitro-11,12-dihydroindolo[2,3-a]carbazole
CID 11653124
3-acetyl-4-methylsulfanyl-6-nitro-1H-quinolin-2-one
CID 19926876
4-hydroxy-N-(4-methoxyphenyl)-6-nitro-2-oxo-1H-quinoline-3-carboxamide
CID 176509093
methyl 4-amino-6-nitro-2-oxo-1H-quinoline-3-carboxylate
CID 14663488
3-methyl-5-nitro-1H-indole-2-carboxylate
CID 6963900
6-nitro-9H-carbazol-3-amine
CID 175861785
2,3-difluoro-5-nitro-1H-indole
CID 100933686
3-bromo-6-nitro-4-phenyl-1H-quinolin-2-one
CID 141227900

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,6-dinitro-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-3,6-dinitro-1H-quinolin-2-one (CID 54696471) is 4-hydroxy-3,6-dinitro-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-3,6-dinitro-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-3,6-dinitro-1H-quinolin-2-one is O=c1[nH]c2ccc([N+](=O)[O-])cc2c(O)c1[N+](=O)[O-].
What is the InChIKey of 4-hydroxy-3,6-dinitro-1H-quinolin-2-one?
The InChIKey is QGHNFWHYFACJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O6/c13-8-5-3-4(11(15)16)1-2-6(5)10-9(14)7(8)12(17)18/h1-3H,(H2,10,13,14).
What are the key properties of 4-hydroxy-3,6-dinitro-1H-quinolin-2-one?
4-hydroxy-3,6-dinitro-1H-quinolin-2-one has a molecular weight of 251.15 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,6-dinitro-1H-quinolin-2-one is sourced from PubChem (CID 54696471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).