4,5-dichloroquinoline-2,3-dione

C9H3Cl2NO2 — CID 122423928

IUPAC4,5-dichloroquinoline-2,3-dione
SMILESO=C1N=c2cccc(Cl)c2=C(Cl)C1=O
InChIInChI=1S/C9H3Cl2NO2/c10-4-2-1-3-5-6(4)7(11)8(13)9(14)12-5/h1-3H
InChIKeyTVWUZQOVEXBFOX-UHFFFAOYSA-N
MW228.03 g/mol
LogP0.42
Rot. Bonds

About 4,5-dichloroquinoline-2,3-dione

4,5-dichloroquinoline-2,3-dione (PubChem CID 122423928) has the molecular formula C9H3Cl2NO2 and a molecular weight of 228.03 g/mol. Its IUPAC name is 4,5-dichloroquinoline-2,3-dione.

Molecular Properties

Compound Name4,5-dichloroquinoline-2,3-dione
PubChem CID122423928
Molecular FormulaC9H3Cl2NO2
Molecular Weight228.03 g/mol
Exact Mass226.95
IUPAC Name4,5-dichloroquinoline-2,3-dione
SMILESO=C1N=c2cccc(Cl)c2=C(Cl)C1=O
InChIInChI=1S/C9H3Cl2NO2/c10-4-2-1-3-5-6(4)7(11)8(13)9(14)12-5/h1-3H
InChIKeyTVWUZQOVEXBFOX-UHFFFAOYSA-N
XLogP0.42
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.03
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloroquinoline-2,3-dione?
The IUPAC name of 4,5-dichloroquinoline-2,3-dione (CID 122423928) is 4,5-dichloroquinoline-2,3-dione.
What is the SMILES notation for 4,5-dichloroquinoline-2,3-dione?
The canonical SMILES for 4,5-dichloroquinoline-2,3-dione is O=C1N=c2cccc(Cl)c2=C(Cl)C1=O.
What is the InChIKey of 4,5-dichloroquinoline-2,3-dione?
The InChIKey is TVWUZQOVEXBFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl2NO2/c10-4-2-1-3-5-6(4)7(11)8(13)9(14)12-5/h1-3H.
What are the key properties of 4,5-dichloroquinoline-2,3-dione?
4,5-dichloroquinoline-2,3-dione has a molecular weight of 228.03 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloroquinoline-2,3-dione is sourced from PubChem (CID 122423928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).