6-chloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione

C15H9ClFNO2 — CID 2784192

IUPAC6-chloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione
SMILESO=C1Nc2ccc(Cl)cc2C(=O)C1(F)c1ccccc1
InChIInChI=1S/C15H9ClFNO2/c16-10-6-7-12-11(8-10)13(19)15(17,14(20)18-12)9-4-2-1-3-5-9/h1-8H,(H,18,20)
InChIKeyABKYNXIZRURNEI-UHFFFAOYSA-N
MW289.69 g/mol
LogP3.34
Rot. Bonds1

About 6-chloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione

6-chloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione (PubChem CID 2784192) has the molecular formula C15H9ClFNO2 and a molecular weight of 289.69 g/mol. Its IUPAC name is 6-chloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione
PubChem CID2784192
Molecular FormulaC15H9ClFNO2
Molecular Weight289.69 g/mol
Exact Mass289.03
IUPAC Name6-chloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione
SMILESO=C1Nc2ccc(Cl)cc2C(=O)C1(F)c1ccccc1
InChIInChI=1S/C15H9ClFNO2/c16-10-6-7-12-11(8-10)13(19)15(17,14(20)18-12)9-4-2-1-3-5-9/h1-8H,(H,18,20)
InChIKeyABKYNXIZRURNEI-UHFFFAOYSA-N
XLogP3.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.69
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-3-fluoro-3-phenyl-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 6-chloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione?
The IUPAC name of 6-chloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione (CID 2784192) is 6-chloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione.
What is the SMILES notation for 6-chloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione?
The canonical SMILES for 6-chloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione is O=C1Nc2ccc(Cl)cc2C(=O)C1(F)c1ccccc1.
What is the InChIKey of 6-chloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione?
The InChIKey is ABKYNXIZRURNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO2/c16-10-6-7-12-11(8-10)13(19)15(17,14(20)18-12)9-4-2-1-3-5-9/h1-8H,(H,18,20).
What are the key properties of 6-chloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione?
6-chloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione has a molecular weight of 289.69 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione is sourced from PubChem (CID 2784192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).