Quabodepistat
5-[[(3R,4R)-1-(4-chloro-2,6-difluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
Molecular Identity
Quabodepistat
5-[[(3R,4R)-1-(4-chloro-2,6-difluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID: 118904282
2D Structure
Properties
C21H20ClF3N2O4
Molecular Formula
456.80
Molecular Weight
g/mol
456.1064
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
82
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
652
Complexity
SMILES
Canonical SMILES
SMILES: C1CC(=O)NC2=C(C=CC(=C21)OCC3(CCN(CC3O)C4=C(C=C(C=C4F)Cl)F)O)FIsomeric SMILES
SMILES: C1CC(=O)NC2=C(C=CC(=C21)OC[C@@]3(CCN(C[C@H]3O)C4=C(C=C(C=C4F)Cl)F)O)FSynonyms(20)
QUABODEPISTATOPC-167832UNII-1PQN78P4S31PQN78P4S35-[[(3R,4R)-1-(4-chloro-2,6-difluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-oneQUABODEPISTAT [INN]2(1H)-QUINOLINONE, 5-(((3R,4R)-1-(4-CHLORO-2,6-DIFLUOROPHENYL)-3,4-DIHYDROXY-4-PIPERIDINYL)METHOXY)-8-FLUORO-3,4-DIHYDRO-2(1H)-Quinolinone, 5-[[(3R,4R)-1-(4-chloro-2,6-difluorophenyl)-3,4-dihydroxy-4-piperidinyl]methoxy]-8-fluoro-3,4-dihydro-5-(((3R,4R)-1-(4-chloro-2,6-difluorophenyl)-3,4-dihydroxypiperidin-4-yl)methoxy)-8-fluoro-3,4-dihydro-1H-quinolin-2-oneRefChem:1780191883747-71-45-(((3R,4R)-1-(4-Chloro-2,6-difluorophenyl)-3,4-dihydroxypiperidin-4-yl)methoxy)-8-fluoro-3,4-dihydroquinolin-2(1H)-one5-{[(3R,4R)-1-(4-chloro-2,6-difluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy}-8-fluoro-3,4-dihydroquinolin-2(1H)-oneQuabodepistat [WHO-DD]Quabodepistat (USAN/INN)
Data from PubChem (NCBI)
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