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7-[6-Phenyl-5-(4-trifluoromethyl-phenyl)-pyridazin-3-yloxy]-quinoline

HCID 21865064
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
FC(F)(F)c1ccc(-c2cc(Oc3ccc4cccnc4c3)nnc2-c2ccccc2)cc1
InChIKey
FIKYXUMYYCVIAG-UHFFFAOYSA-N
Molecular formula
C26H16F3N3O
Average molar mass
443.4 g/mol

Names & identifiers

Preferred name
7-[6-Phenyl-5-(4-trifluoromethyl-phenyl)-pyridazin-3-yloxy]-quinoline
IUPAC
7-[6-phenyl-5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]oxyquinoline

Names & synonyms

7-[6-Phenyl-5-(4-trifluoromethyl-phenyl)-pyridazin-3-yloxy]-quinolineSCHEMBL1042348

Database identifiers

PubChem CID
21865064

Properties

Computed structural properties

XLogP
6.1
Topological polar surface area
47.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
33
Formal charge
0
Complexity
618

Related reactions

4 records
New reaction record
HRID 139415 reaction equation
HRID 139415As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 857633 reaction equation
HRID 857633As productuspto-grants-2006_12
HRID 859002 reaction equation
HRID 859002As productuspto-grants-2006_12
HRID 2055951 reaction equation
HRID 2055951As productuspto-grants-2008_02

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes