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RYL-552

CAT: 0931-T28636-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T28636-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1801444-56-3
Target
Others, Mitochondrial Metabolism, Parasite
Related Pathways
Others, Microbiology/Virology, Metabolism
Bioactivity
RYL-552 is a potent inhibitor of PfNDH2.
Smiles
Cc1c([nH]c2cccc(F)c2c1=O)-c1ccc(Cc2ccc(OC(F)(F)F)cc2)cc1
Molecular Formula
C24H17F4NO2
Molecular Weight
427.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-Fluoro-3-Methyl-2-{4-[4-(Trifluoromethoxy)benzyl]phenyl}quinolin-4(1h)-One
CAS Number1801444-56-3
PubChem CID124222414
IUPAC Name5-fluoro-3-methyl-2-[4-[[4-(trifluoromethoxy)phenyl]methyl]phenyl]-1H-quinolin-4-one
Molecular FormulaC24H17F4NO2
Molecular Weight427.4
XLogP6.8
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity676
SMILES
CC1=C(NC2=C(C1=O)C(=CC=C2)F)C3=CC=C(C=C3)CC4=CC=C(C=C4)OC(F)(F)F
InChI
InChI=1S/C24H17F4NO2/c1-14-22(29-20-4-2-3-19(25)21(20)23(14)30)17-9-5-15(6-10-17)13-16-7-11-18(12-8-16)31-24(26,27)28/h2-12H,13H2,1H3,(H,29,30)
InChIKey
OPUNZJHITPCTFC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Fluoro-3-Methyl-2-{4-[4-(Trifluoromethoxy)benzyl]phenyl}quinolin-4(1h)-One
CAS: 1801444-56-3
CID: 124222414
Formula: C24H17F4NO2
MW: 427.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight427.4
XLogP36.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass427.11954143
Monoisotopic Mass427.11954143
Topological Polar Surface Area38.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity676
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes