5-chloro-3-nitro-1H-quinolin-4-one

C9H5ClN2O3 — CID 131861739

IUPAC5-chloro-3-nitro-1H-quinolin-4-one
SMILESO=c1c([N+](=O)[O-])c[nH]c2cccc(Cl)c12
InChIInChI=1S/C9H5ClN2O3/c10-5-2-1-3-6-8(5)9(13)7(4-11-6)12(14)15/h1-4H,(H,11,13)
InChIKeyLVZOQSIUJZTUNC-UHFFFAOYSA-N
MW224.60 g/mol
LogP2.09
Rot. Bonds1

About 5-chloro-3-nitro-1H-quinolin-4-one

5-chloro-3-nitro-1H-quinolin-4-one (PubChem CID 131861739) has the molecular formula C9H5ClN2O3 and a molecular weight of 224.60 g/mol. Its IUPAC name is 5-chloro-3-nitro-1H-quinolin-4-one.

Molecular Properties

Compound Name5-chloro-3-nitro-1H-quinolin-4-one
PubChem CID131861739
Molecular FormulaC9H5ClN2O3
Molecular Weight224.60 g/mol
Exact Mass224.00
IUPAC Name5-chloro-3-nitro-1H-quinolin-4-one
SMILESO=c1c([N+](=O)[O-])c[nH]c2cccc(Cl)c12
InChIInChI=1S/C9H5ClN2O3/c10-5-2-1-3-6-8(5)9(13)7(4-11-6)12(14)15/h1-4H,(H,11,13)
InChIKeyLVZOQSIUJZTUNC-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

3-chloro-4-nitro-1H-indole
CID 12049863
6-bromo-5-fluoro-3-nitro-1H-quinolin-4-one
CID 163217843
3-(chloromethyl)-4-nitro-1H-indole
CID 130049366
7-nitro-1,5-dihydro-1,5-naphthyridine-2,8-dione
CID 118703417
2-(4-chloro-1H-indol-3-yl)naphthalene-1,4-dione
CID 155681724
1-chloro-2-methyl-3-nitrobenzene
CID 6740
(4-chloro-1H-indol-3-yl) formate
CID 175242708
4-chloro-3-propan-2-yl-1H-indole
CID 129292866
6,7-dichloro-3-nitro-1H-1,8-naphthyridin-4-one
CID 175866851
2-(4-chloro-1H-indol-3-yl)ethanone;yttrium
CID 166553982
8-chloro-5-nitro-2H-isoquinolin-1-one
CID 82572145
3-(4-chloro-1H-indol-3-yl)prop-2-enal
CID 169460196

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-nitro-1H-quinolin-4-one?
The IUPAC name of 5-chloro-3-nitro-1H-quinolin-4-one (CID 131861739) is 5-chloro-3-nitro-1H-quinolin-4-one.
What is the SMILES notation for 5-chloro-3-nitro-1H-quinolin-4-one?
The canonical SMILES for 5-chloro-3-nitro-1H-quinolin-4-one is O=c1c([N+](=O)[O-])c[nH]c2cccc(Cl)c12.
What is the InChIKey of 5-chloro-3-nitro-1H-quinolin-4-one?
The InChIKey is LVZOQSIUJZTUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O3/c10-5-2-1-3-6-8(5)9(13)7(4-11-6)12(14)15/h1-4H,(H,11,13).
What are the key properties of 5-chloro-3-nitro-1H-quinolin-4-one?
5-chloro-3-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-3-nitro-1H-quinolin-4-one is sourced from PubChem (CID 131861739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).