4-chloro-3-nitro-3H-quinolin-2-one

C9H5ClN2O3 — CID 90811077

IUPAC4-chloro-3-nitro-3H-quinolin-2-one
SMILESO=C1N=c2ccccc2=C(Cl)C1[N+](=O)[O-]
InChIInChI=1S/C9H5ClN2O3/c10-7-5-3-1-2-4-6(5)11-9(13)8(7)12(14)15/h1-4,8H
InChIKeyGMPOELSPGFXIEY-UHFFFAOYSA-N
MW224.60 g/mol
LogP-0.16
Rot. Bonds1

About 4-chloro-3-nitro-3H-quinolin-2-one

4-chloro-3-nitro-3H-quinolin-2-one (PubChem CID 90811077) has the molecular formula C9H5ClN2O3 and a molecular weight of 224.60 g/mol. Its IUPAC name is 4-chloro-3-nitro-3H-quinolin-2-one.

Molecular Properties

Compound Name4-chloro-3-nitro-3H-quinolin-2-one
PubChem CID90811077
Molecular FormulaC9H5ClN2O3
Molecular Weight224.60 g/mol
Exact Mass224.00
IUPAC Name4-chloro-3-nitro-3H-quinolin-2-one
SMILESO=C1N=c2ccccc2=C(Cl)C1[N+](=O)[O-]
InChIInChI=1S/C9H5ClN2O3/c10-7-5-3-1-2-4-6(5)11-9(13)8(7)12(14)15/h1-4,8H
InChIKeyGMPOELSPGFXIEY-UHFFFAOYSA-N
XLogP-0.16
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.60
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
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-nitro-3H-quinolin-2-one
CID 45025452
4-chloro-6-nitro-6H-quinolin-2-one
CID 76845380
6-nitro-6H-quinolin-2-one
CID 76845642
8-bromo-3-nitro-3H-quinolin-2-one
CID 178188743

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-3H-quinolin-2-one?
The IUPAC name of 4-chloro-3-nitro-3H-quinolin-2-one (CID 90811077) is 4-chloro-3-nitro-3H-quinolin-2-one.
What is the SMILES notation for 4-chloro-3-nitro-3H-quinolin-2-one?
The canonical SMILES for 4-chloro-3-nitro-3H-quinolin-2-one is O=C1N=c2ccccc2=C(Cl)C1[N+](=O)[O-].
What is the InChIKey of 4-chloro-3-nitro-3H-quinolin-2-one?
The InChIKey is GMPOELSPGFXIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O3/c10-7-5-3-1-2-4-6(5)11-9(13)8(7)12(14)15/h1-4,8H.
What are the key properties of 4-chloro-3-nitro-3H-quinolin-2-one?
4-chloro-3-nitro-3H-quinolin-2-one has a molecular weight of 224.60 g/mol, XLogP of -0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitro-3H-quinolin-2-one is sourced from PubChem (CID 90811077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).