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    2D Structure
    Also known as: Btrx-335140, 2244614-14-8, Cym-53093, Xk5ilz28ki, 1-(6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl)-n-(tetrahydro-2h-pyran-4-yl)piperidin-4 amine, 1-(6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl)-n-(tetrahydro-2h-pyran-4-yl)piperidin-4-amine
    Molecular Formula
    C25H32FN5O2
    Molecular Weight
    453.6  g/mol
    InChI Key
    CQOJHAJWCDJEAT-UHFFFAOYSA-N
    FDA UNII
    XK5ILZ28KI
    BTRX-335140 is under investigation in clinical trial NCT04221230 (Study in Major Depressive Disorder With BTRX-335140 vs Placebo).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
    2.1.2 InChI
    InChI=1S/C25H32FN5O2/c1-4-17-13-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)14-17)31-9-5-18(6-10-31)28-19-7-11-32-12-8-19/h13-14,18-19,28H,4-12H2,1-3H3
    2.1.3 InChI Key
    CQOJHAJWCDJEAT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC1=CC2=C(C(=C(N=C2C(=C1)F)N3CCC(CC3)NC4CCOCC4)C5=NC(=NO5)C)C
    2.2 Other Identifiers
    2.2.1 UNII
    XK5ILZ28KI
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl)- N-(tetrahydro-2 H-pyran-4-yl)piperidin-4 Amine

    2. Btrx-335140

    3. Cym-53093

    2.3.2 Depositor-Supplied Synonyms

    1. Btrx-335140

    2. 2244614-14-8

    3. Cym-53093

    4. Xk5ilz28ki

    5. 1-(6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl)-n-(tetrahydro-2h-pyran-4-yl)piperidin-4 Amine

    6. 1-(6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl)-n-(tetrahydro-2h-pyran-4-yl)piperidin-4-amine

    7. 1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-n-(oxan-4-yl)piperidin-4-amine

    8. 4-piperidinamine, 1-(6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolinyl)-n-(tetrahydro-2h-pyran-4-yl)-

    9. Unii-xk5ilz28ki

    10. Nmra-140

    11. Chembl4592045

    12. Schembl20670520

    13. Gtpl10452

    14. Btrx335140

    15. Dtxsid401104655

    16. Bcp32121

    17. Cym53093

    18. Ex-a5654

    19. Bdbm50531908

    20. Compound 58 [pmid: 30707578]

    21. Hy-124754

    22. Cs-0087593

    23. Btrx 335140; Btrx335140; Cym-53093; Cym 53093; Cym53093

    2.4 Create Date
    2019-03-16
    3 Chemical and Physical Properties
    Molecular Weight 453.6 g/mol
    Molecular Formula C25H32FN5O2
    XLogP34.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count5
    Exact Mass453.25400344 g/mol
    Monoisotopic Mass453.25400344 g/mol
    Topological Polar Surface Area76.3 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity630
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1