5-chloro-8-nitro-1H-quinolin-4-one

C9H5ClN2O3 — CID 19592294

IUPAC5-chloro-8-nitro-1H-quinolin-4-one
SMILESO=c1cc[nH]c2c([N+](=O)[O-])ccc(Cl)c12
InChIInChI=1S/C9H5ClN2O3/c10-5-1-2-6(12(14)15)9-8(5)7(13)3-4-11-9/h1-4H,(H,11,13)
InChIKeyOSFQUDKZHVWWJZ-UHFFFAOYSA-N
MW224.60 g/mol
LogP2.09
Rot. Bonds1

About 5-chloro-8-nitro-1H-quinolin-4-one

5-chloro-8-nitro-1H-quinolin-4-one (PubChem CID 19592294) has the molecular formula C9H5ClN2O3 and a molecular weight of 224.60 g/mol. Its IUPAC name is 5-chloro-8-nitro-1H-quinolin-4-one.

Molecular Properties

Compound Name5-chloro-8-nitro-1H-quinolin-4-one
PubChem CID19592294
Molecular FormulaC9H5ClN2O3
Molecular Weight224.60 g/mol
Exact Mass224.00
IUPAC Name5-chloro-8-nitro-1H-quinolin-4-one
SMILESO=c1cc[nH]c2c([N+](=O)[O-])ccc(Cl)c12
InChIInChI=1S/C9H5ClN2O3/c10-5-1-2-6(12(14)15)9-8(5)7(13)3-4-11-9/h1-4H,(H,11,13)
InChIKeyOSFQUDKZHVWWJZ-UHFFFAOYSA-N
XLogP2.09
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.60
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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CID 82572145
8-amino-5-chloro-1H-quinolin-4-one
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1,6-dichloro-4-nitro-10H-acridin-9-one
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7-methyl-4-nitro-1H-indole
CID 21218311
7-tert-butyl-1-chloro-4-nitro-10H-acridin-9-one
CID 10019570
5-chloro-3-nitro-1H-quinolin-4-one
CID 131861739
5-chloro-4-methyl-8-nitronaphthalene-1-carbonitrile
CID 10014828
1,10-dihydro-1,10-phenanthroline-4,7-dione
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7-chloro-5-(2-nitrophenyl)-1H-indole
CID 90257456
4-chloro-7-nitro-1H-indole-2,3-dione
CID 18070554

Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-nitro-1H-quinolin-4-one?
The IUPAC name of 5-chloro-8-nitro-1H-quinolin-4-one (CID 19592294) is 5-chloro-8-nitro-1H-quinolin-4-one.
What is the SMILES notation for 5-chloro-8-nitro-1H-quinolin-4-one?
The canonical SMILES for 5-chloro-8-nitro-1H-quinolin-4-one is O=c1cc[nH]c2c([N+](=O)[O-])ccc(Cl)c12.
What is the InChIKey of 5-chloro-8-nitro-1H-quinolin-4-one?
The InChIKey is OSFQUDKZHVWWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O3/c10-5-1-2-6(12(14)15)9-8(5)7(13)3-4-11-9/h1-4H,(H,11,13).
What are the key properties of 5-chloro-8-nitro-1H-quinolin-4-one?
5-chloro-8-nitro-1H-quinolin-4-one has a molecular weight of 224.60 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-nitro-1H-quinolin-4-one is sourced from PubChem (CID 19592294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).