3-[4-({3-[3-Benzyl-8-(Trifluoromethyl)Quinolin-4-yl]Benzyl}Oxy)Phenyl]PROP-2-Ynoic Acid

HCID 66913643
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Basic information

Standard SMILES
O=C(O)C#Cc1ccc(OCc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1
InChIKey
FEJYFKWTISYCPX-UHFFFAOYSA-N
Molecular formula
C33H22F3NO3
Average molar mass
537.5 g/mol

Names & identifiers

Preferred name
3-[4-({3-[3-Benzyl-8-(Trifluoromethyl)Quinolin-4-yl]Benzyl}Oxy)Phenyl]PROP-2-Ynoic Acid
IUPAC
3-[4-[[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenyl]methoxy]phenyl]prop-2-ynoic acid

Names & synonyms

3-[4-({3-[3-Benzyl-8-(Trifluoromethyl)Quinolin-4-yl]Benzyl}Oxy)Phenyl]PROP-2-Ynoic AcidSCHEMBL1124852

Database identifiers

PubChem CID
66913643

Properties

Computed structural properties

XLogP
8.2
Topological polar surface area
59.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
40

Related reactions

1 records
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Compound notes

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