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Endochin

CAT: 0013-GTR19197686-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197686-02Size:50 mg
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Description
Endochin is an experimental antimalarial compound. It demonstrates causal prophylactic and potent blood-stage activity in avian malaria models, and its analogues are investigated in vitro against Plasmodium falciparum for antimalarial drug discovery research.
CAS Number
354155-51-4
Field of Research
Infectious Disease & Virology
Smiles
O=C1C=2C (NC (C) =C1CCCCCCC) =CC (OC) =CC2
Molecular Formula
C18H25NO2
Molecular Weight
287.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Heptyl-4-hydroxy-7-methoxy-2-methylquinoline

structure given in first source

CAS Number354155-51-4
PubChem CID100474
IUPAC Name3-heptyl-7-methoxy-2-methyl-1H-quinolin-4-one
Molecular FormulaC18H25NO2
Molecular Weight287.4
XLogP5.4
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count21
Formal Charge0
Complexity389
SMILES
CCCCCCCC1=C(NC2=C(C1=O)C=CC(=C2)OC)C
InChI
InChI=1S/C18H25NO2/c1-4-5-6-7-8-9-15-13(2)19-17-12-14(21-3)10-11-16(17)18(15)20/h10-12H,4-9H2,1-3H3,(H,19,20)
InChIKey
BCZRFDKLLBFOHJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Heptyl-4-hydroxy-7-methoxy-2-methylquinoline
CAS: 354155-51-4
CID: 100474
Formula: C18H25NO2
MW: 287.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.4
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass287.188529040
Monoisotopic Mass287.188529040
Topological Polar Surface Area38.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity389
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

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CatalogName
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