7,8-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione

C15H8Cl2FNO2 — CID 2784136

IUPAC7,8-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione
SMILESO=C1Nc2c(ccc(Cl)c2Cl)C(=O)C1(F)c1ccccc1
InChIInChI=1S/C15H8Cl2FNO2/c16-10-7-6-9-12(11(10)17)19-14(21)15(18,13(9)20)8-4-2-1-3-5-8/h1-7H,(H,19,21)
InChIKeyHEGQCRYRRSFCJW-UHFFFAOYSA-N
MW324.14 g/mol
LogP3.99
Rot. Bonds1

About 7,8-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione

7,8-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione (PubChem CID 2784136) has the molecular formula C15H8Cl2FNO2 and a molecular weight of 324.14 g/mol. Its IUPAC name is 7,8-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name7,8-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione
PubChem CID2784136
Molecular FormulaC15H8Cl2FNO2
Molecular Weight324.14 g/mol
Exact Mass322.99
IUPAC Name7,8-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione
SMILESO=C1Nc2c(ccc(Cl)c2Cl)C(=O)C1(F)c1ccccc1
InChIInChI=1S/C15H8Cl2FNO2/c16-10-7-6-9-12(11(10)17)19-14(21)15(18,13(9)20)8-4-2-1-3-5-8/h1-7H,(H,19,21)
InChIKeyHEGQCRYRRSFCJW-UHFFFAOYSA-N
XLogP3.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione?
The IUPAC name of 7,8-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione (CID 2784136) is 7,8-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione.
What is the SMILES notation for 7,8-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione?
The canonical SMILES for 7,8-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione is O=C1Nc2c(ccc(Cl)c2Cl)C(=O)C1(F)c1ccccc1.
What is the InChIKey of 7,8-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione?
The InChIKey is HEGQCRYRRSFCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2FNO2/c16-10-7-6-9-12(11(10)17)19-14(21)15(18,13(9)20)8-4-2-1-3-5-8/h1-7H,(H,19,21).
What are the key properties of 7,8-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione?
7,8-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione has a molecular weight of 324.14 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione is sourced from PubChem (CID 2784136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).