3,3-dichloro-1H-quinoline-2,4-dione

C9H5Cl2NO2 — CID 2785049

IUPAC3,3-dichloro-1H-quinoline-2,4-dione
SMILESO=C1Nc2ccccc2C(=O)C1(Cl)Cl
InChIInChI=1S/C9H5Cl2NO2/c10-9(11)7(13)5-3-1-2-4-6(5)12-8(9)14/h1-4H,(H,12,14)
InChIKeyOVFKPOZIUBFQMK-UHFFFAOYSA-N
MW230.05 g/mol
LogP2.00
Rot. Bonds

About 3,3-dichloro-1H-quinoline-2,4-dione

3,3-dichloro-1H-quinoline-2,4-dione (PubChem CID 2785049) has the molecular formula C9H5Cl2NO2 and a molecular weight of 230.05 g/mol. Its IUPAC name is 3,3-dichloro-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name3,3-dichloro-1H-quinoline-2,4-dione
PubChem CID2785049
Molecular FormulaC9H5Cl2NO2
Molecular Weight230.05 g/mol
Exact Mass228.97
IUPAC Name3,3-dichloro-1H-quinoline-2,4-dione
SMILESO=C1Nc2ccccc2C(=O)C1(Cl)Cl
InChIInChI=1S/C9H5Cl2NO2/c10-9(11)7(13)5-3-1-2-4-6(5)12-8(9)14/h1-4H,(H,12,14)
InChIKeyOVFKPOZIUBFQMK-UHFFFAOYSA-N
XLogP2.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3,3-dichloro-1H-quinoline-2,4-dione 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 3,3-dichloro-1H-quinoline-2,4-dione?
The IUPAC name of 3,3-dichloro-1H-quinoline-2,4-dione (CID 2785049) is 3,3-dichloro-1H-quinoline-2,4-dione.
What is the SMILES notation for 3,3-dichloro-1H-quinoline-2,4-dione?
The canonical SMILES for 3,3-dichloro-1H-quinoline-2,4-dione is O=C1Nc2ccccc2C(=O)C1(Cl)Cl.
What is the InChIKey of 3,3-dichloro-1H-quinoline-2,4-dione?
The InChIKey is OVFKPOZIUBFQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO2/c10-9(11)7(13)5-3-1-2-4-6(5)12-8(9)14/h1-4H,(H,12,14).
What are the key properties of 3,3-dichloro-1H-quinoline-2,4-dione?
3,3-dichloro-1H-quinoline-2,4-dione has a molecular weight of 230.05 g/mol, XLogP of 2.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dichloro-1H-quinoline-2,4-dione is sourced from PubChem (CID 2785049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).