5,7-dichloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione

C16H11Cl2NO2 — CID 11638332

IUPAC5,7-dichloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione
SMILESCC1(c2ccccc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O
InChIInChI=1S/C16H11Cl2NO2/c1-16(9-5-3-2-4-6-9)14(20)13-11(18)7-10(17)8-12(13)19-15(16)21/h2-8H,1H3,(H,19,21)
InChIKeyXUTWKCUZLXNZPI-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.09
Rot. Bonds1

About 5,7-dichloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione

5,7-dichloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione (PubChem CID 11638332) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is 5,7-dichloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name5,7-dichloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione
PubChem CID11638332
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC Name5,7-dichloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione
SMILESCC1(c2ccccc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O
InChIInChI=1S/C16H11Cl2NO2/c1-16(9-5-3-2-4-6-9)14(20)13-11(18)7-10(17)8-12(13)19-15(16)21/h2-8H,1H3,(H,19,21)
InChIKeyXUTWKCUZLXNZPI-UHFFFAOYSA-N
XLogP4.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,7-dichloro-3-methyl-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 5,7-dichloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione?
The IUPAC name of 5,7-dichloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione (CID 11638332) is 5,7-dichloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione.
What is the SMILES notation for 5,7-dichloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione?
The canonical SMILES for 5,7-dichloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione is CC1(c2ccccc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O.
What is the InChIKey of 5,7-dichloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione?
The InChIKey is XUTWKCUZLXNZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c1-16(9-5-3-2-4-6-9)14(20)13-11(18)7-10(17)8-12(13)19-15(16)21/h2-8H,1H3,(H,19,21).
What are the key properties of 5,7-dichloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione?
5,7-dichloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione has a molecular weight of 320.18 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-methyl-3-phenyl-1H-quinoline-2,4-dione is sourced from PubChem (CID 11638332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).