3,5,8-trichloro-3-phenyl-1H-quinoline-2,4-dione

C15H8Cl3NO2 — CID 110273063

IUPAC3,5,8-trichloro-3-phenyl-1H-quinoline-2,4-dione
SMILESO=C1Nc2c(Cl)ccc(Cl)c2C(=O)C1(Cl)c1ccccc1
InChIInChI=1S/C15H8Cl3NO2/c16-9-6-7-10(17)12-11(9)13(20)15(18,14(21)19-12)8-4-2-1-3-5-8/h1-7H,(H,19,21)
InChIKeyWZOMBYDMTNHIGQ-UHFFFAOYSA-N
MW340.59 g/mol
LogP4.26
Rot. Bonds1

About 3,5,8-trichloro-3-phenyl-1H-quinoline-2,4-dione

3,5,8-trichloro-3-phenyl-1H-quinoline-2,4-dione (PubChem CID 110273063) has the molecular formula C15H8Cl3NO2 and a molecular weight of 340.59 g/mol. Its IUPAC name is 3,5,8-trichloro-3-phenyl-1H-quinoline-2,4-dione.

Molecular Properties

Compound Name3,5,8-trichloro-3-phenyl-1H-quinoline-2,4-dione
PubChem CID110273063
Molecular FormulaC15H8Cl3NO2
Molecular Weight340.59 g/mol
Exact Mass338.96
IUPAC Name3,5,8-trichloro-3-phenyl-1H-quinoline-2,4-dione
SMILESO=C1Nc2c(Cl)ccc(Cl)c2C(=O)C1(Cl)c1ccccc1
InChIInChI=1S/C15H8Cl3NO2/c16-9-6-7-10(17)12-11(9)13(20)15(18,14(21)19-12)8-4-2-1-3-5-8/h1-7H,(H,19,21)
InChIKeyWZOMBYDMTNHIGQ-UHFFFAOYSA-N
XLogP4.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.59
LogP ≤ 54.26
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'}

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Related Compounds

3-azido-5,8-dichloro-3-phenyl-1H-quinoline-2,4-dione
CID 110272773
4,7-dichloro-3-hydroxy-3-phenyl-1H-indol-2-one
CID 102496389
3-chloro-3-phenyl-1H-quinoline-2,4-dione
CID 2785082
7-amino-3,6-dichloro-3-phenyl-1H-1,8-naphthyridine-2,4-dione
CID 2784455
3-benzyl-5-chloro-3-hydroxy-8-methyl-1H-quinoline-2,4-dione
CID 15831706
(3S)-3-bromo-7,8-dichloro-3-phenyl-1H-quinoline-2,4-dione
CID 1037203
2,5-dichloro-3-(3-fluoro-2-hydroxy-4-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione;2,5-dichloro-3-(4-fluoro-2-hydroxy-3-methylphenyl)-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 161220744
(3R)-6,7-dichloro-3-fluoro-3-phenyl-1H-quinoline-2,4-dione
CID 6933020
4,7-dichloro-1,2-dihydroindol-3-one
CID 96619517
(3R)-6-tert-butyl-3,5-dichloro-1-(4-fluorophenyl)-3-phenylpyridine-2,4-dione
CID 1037183
3-(2,6-dichlorophenyl)pyrrole-2,5-dione
CID 54029727
7-chloro-4-(trifluoromethyl)-1H-indole-2,3-dione
CID 16787437

Frequently Asked Questions

What is the IUPAC name of 3,5,8-trichloro-3-phenyl-1H-quinoline-2,4-dione?
The IUPAC name of 3,5,8-trichloro-3-phenyl-1H-quinoline-2,4-dione (CID 110273063) is 3,5,8-trichloro-3-phenyl-1H-quinoline-2,4-dione.
What is the SMILES notation for 3,5,8-trichloro-3-phenyl-1H-quinoline-2,4-dione?
The canonical SMILES for 3,5,8-trichloro-3-phenyl-1H-quinoline-2,4-dione is O=C1Nc2c(Cl)ccc(Cl)c2C(=O)C1(Cl)c1ccccc1.
What is the InChIKey of 3,5,8-trichloro-3-phenyl-1H-quinoline-2,4-dione?
The InChIKey is WZOMBYDMTNHIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3NO2/c16-9-6-7-10(17)12-11(9)13(20)15(18,14(21)19-12)8-4-2-1-3-5-8/h1-7H,(H,19,21).
What are the key properties of 3,5,8-trichloro-3-phenyl-1H-quinoline-2,4-dione?
3,5,8-trichloro-3-phenyl-1H-quinoline-2,4-dione has a molecular weight of 340.59 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,8-trichloro-3-phenyl-1H-quinoline-2,4-dione is sourced from PubChem (CID 110273063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).