Molecular Identity
Mefloquine
[2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol
PubChem CID: 4046
[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol is an organofluorine compound that consists of quinoline bearing trifluoromethyl substituents at positions 2 and 8 as well as a (2-piperidinyl)hydroxymethyl substituent at position 4. It is a member of piperidines, a member of quinolines, a secondary alcohol and an organofluorine compound.
2D Structure
Properties
C17H16F6N2O
Molecular Formula
378.31
Molecular Weight
g/mol
378.1167
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
45.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
483
Complexity
SMILES
Canonical SMILES
SMILES: C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)OIsomeric SMILES
SMILES: C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)OSynonyms(20)
mefloquineMefloquina53230-10-7GNF-Pf-5544Racemic mefloquine[2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanolMefloquinumRo-215998NSC-758233Ro 21-5998WR 142,490DTXSID4037168Mephloquine(2,8-bis(trifluoromethyl)quinolin-4-yl)-piperidin-2-ylmethanolRefChem:56342
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Mefloquine
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