4-chloro-3-nitro-1H-quinolin-2-one

C9H5ClN2O3 — CID 2785467

IUPAC4-chloro-3-nitro-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(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/h1-4H,(H,11,13)
InChIKeyMCYSTJLGTLBBTI-UHFFFAOYSA-N
MW224.60 g/mol
LogP2.09
Rot. Bonds1

About 4-chloro-3-nitro-1H-quinolin-2-one

4-chloro-3-nitro-1H-quinolin-2-one (PubChem CID 2785467) has the molecular formula C9H5ClN2O3 and a molecular weight of 224.60 g/mol. Its IUPAC name is 4-chloro-3-nitro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-chloro-3-nitro-1H-quinolin-2-one
PubChem CID2785467
Molecular FormulaC9H5ClN2O3
Molecular Weight224.60 g/mol
Exact Mass224.00
IUPAC Name4-chloro-3-nitro-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(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/h1-4H,(H,11,13)
InChIKeyMCYSTJLGTLBBTI-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'}

Analyze 4-chloro-3-nitro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-nitro-1H-quinolin-2-one?
The IUPAC name of 4-chloro-3-nitro-1H-quinolin-2-one (CID 2785467) is 4-chloro-3-nitro-1H-quinolin-2-one.
What is the SMILES notation for 4-chloro-3-nitro-1H-quinolin-2-one?
The canonical SMILES for 4-chloro-3-nitro-1H-quinolin-2-one is O=c1[nH]c2ccccc2c(Cl)c1[N+](=O)[O-].
What is the InChIKey of 4-chloro-3-nitro-1H-quinolin-2-one?
The InChIKey is MCYSTJLGTLBBTI-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/h1-4H,(H,11,13).
What are the key properties of 4-chloro-3-nitro-1H-quinolin-2-one?
4-chloro-3-nitro-1H-quinolin-2-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 4-chloro-3-nitro-1H-quinolin-2-one is sourced from PubChem (CID 2785467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).