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3-[3-[4-(5-Methyl-1,2,4-oxadiazol-3-yl)-2,6-dimethylphenoxy]-propyl]-quinoline

HCID 19082059
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1nc(-c2cc(C)c(OCCCc3cnc4ccccc4c3)c(C)c2)no1
InChIKey
QMDHFXKQYJDXFD-UHFFFAOYSA-N
Molecular formula
C23H23N3O2
Average molar mass
373.4 g/mol

Names & identifiers

Preferred name
3-[3-[4-(5-Methyl-1,2,4-oxadiazol-3-yl)-2,6-dimethylphenoxy]-propyl]-quinoline
IUPAC
3-[3,5-dimethyl-4-(3-quinolin-3-ylpropoxy)phenyl]-5-methyl-1,2,4-oxadiazole

Names & synonyms

SCHEMBL8925912QMDHFXKQYJDXFD-UHFFFAOYSA-N3-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-2,6-dimethylphenoxy]-propyl]-quinoline

Database identifiers

PubChem CID
19082059

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
61 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
28
Formal charge
0
Complexity
478

Related reactions

3 records
New reaction record
HRID 53220 reaction equation
HRID 53220As productuspto-grants-1997_04
HRID 935455 reaction equation
HRID 935455As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 963324 reaction equation
HRID 963324As productuspto-grants-1998_06

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes