ethyl 2-fluoro-2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;ethyl 2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2-(4-fluorophenyl)-3-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;2-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1,1,1-trifluoro-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol

C189H197F7N6O30S12 — CID 157293403

IUPACethyl 2-fluoro-2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;ethyl 2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2-(4-fluorophenyl)-3-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;2-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1,1,1-trifluoro-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol
SMILESCC(C)(O)C(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CC(C)(c1cc(-c2cccc(CC(F)(CO)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1)S(C)(=O)=O.CC(C)(c1cc(-c2cccc(CC(c3ccc(S(C)(=O)=O)cc3)C(O)C(F)(F)F)c2)c2ncccc2c1)S(C)(=O)=O.CC(O)(c1ccc(F)cc1)C(C)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CCOC(=O)C(F)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CCOC(=O)C(F)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(SC)cc1
InChIInChI=1S/C37H38FNO5S2.C31H32FNO6S2.C31H32FNO4S2.C31H35NO5S2.C30H30F3NO5S2.C29H30FNO5S2/c1-35(2,46(6,43)44)30-22-27-11-8-20-39-34(27)33(23-30)26-10-7-9-25(21-26)24-36(3,28-14-18-32(19-15-28)45(5,41)42)37(4,40)29-12-16-31(38)17-13-29;1-6-39-29(34)31(32,24-12-14-26(15-13-24)40(4,35)36)20-21-9-7-10-22(17-21)27-19-25(30(2,3)41(5,37)38)18-23-11-8-16-33-28(23)27;1-6-37-29(34)31(32,24-12-14-26(38-4)15-13-24)20-21-9-7-10-22(17-21)27-19-25(30(2,3)39(5,35)36)18-23-11-8-16-33-28(23)27;1-30(2,33)28(22-12-14-26(15-13-22)38(5,34)35)18-21-9-7-10-23(17-21)27-20-25(31(3,4)39(6,36)37)19-24-11-8-16-32-29(24)27;1-29(2,41(4,38)39)23-17-22-9-6-14-34-27(22)25(18-23)21-8-5-7-19(15-21)16-26(28(35)30(31,32)33)20-10-12-24(13-11-20)40(3,36)37;1-28(2,38(4,35)36)24-16-22-9-6-14-31-27(22)26(17-24)21-8-5-7-20(15-21)18-29(30,19-32)23-10-12-25(13-11-23)37(3,33)34/h7-23,40H,24H2,1-6H3;7-19H,6,20H2,1-5H3;7-19H,6,20H2,1-5H3;7-17,19-20,28,33H,18H2,1-6H3;5-15,17-18,26,28,35H,16H2,1-4H3;5-17,32H,18-19H2,1-4H3
InChIKeyBBBJLQCVMCZYMV-UHFFFAOYSA-N
MW3550.46 g/mol
LogP36.06
Rot. Bonds51

About ethyl 2-fluoro-2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;ethyl 2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2-(4-fluorophenyl)-3-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;2-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1,1,1-trifluoro-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol

ethyl 2-fluoro-2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;ethyl 2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2-(4-fluorophenyl)-3-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;2-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1,1,1-trifluoro-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol (PubChem CID 157293403) has the molecular formula C189H197F7N6O30S12 and a molecular weight of 3550.46 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;ethyl 2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2-(4-fluorophenyl)-3-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;2-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1,1,1-trifluoro-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;ethyl 2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2-(4-fluorophenyl)-3-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;2-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1,1,1-trifluoro-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol
PubChem CID157293403
Molecular FormulaC189H197F7N6O30S12
Molecular Weight3550.46 g/mol
Exact Mass3547.06
IUPAC Nameethyl 2-fluoro-2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;ethyl 2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2-(4-fluorophenyl)-3-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;2-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1,1,1-trifluoro-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol
SMILESCC(C)(O)C(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CC(C)(c1cc(-c2cccc(CC(F)(CO)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1)S(C)(=O)=O.CC(C)(c1cc(-c2cccc(CC(c3ccc(S(C)(=O)=O)cc3)C(O)C(F)(F)F)c2)c2ncccc2c1)S(C)(=O)=O.CC(O)(c1ccc(F)cc1)C(C)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CCOC(=O)C(F)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CCOC(=O)C(F)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(SC)cc1
InChIInChI=1S/C37H38FNO5S2.C31H32FNO6S2.C31H32FNO4S2.C31H35NO5S2.C30H30F3NO5S2.C29H30FNO5S2/c1-35(2,46(6,43)44)30-22-27-11-8-20-39-34(27)33(23-30)26-10-7-9-25(21-26)24-36(3,28-14-18-32(19-15-28)45(5,41)42)37(4,40)29-12-16-31(38)17-13-29;1-6-39-29(34)31(32,24-12-14-26(15-13-24)40(4,35)36)20-21-9-7-10-22(17-21)27-19-25(30(2,3)41(5,37)38)18-23-11-8-16-33-28(23)27;1-6-37-29(34)31(32,24-12-14-26(38-4)15-13-24)20-21-9-7-10-22(17-21)27-19-25(30(2,3)39(5,35)36)18-23-11-8-16-33-28(23)27;1-30(2,33)28(22-12-14-26(15-13-22)38(5,34)35)18-21-9-7-10-23(17-21)27-20-25(31(3,4)39(6,36)37)19-24-11-8-16-32-29(24)27;1-29(2,41(4,38)39)23-17-22-9-6-14-34-27(22)25(18-23)21-8-5-7-19(15-21)16-26(28(35)30(31,32)33)20-10-12-24(13-11-20)40(3,36)37;1-28(2,38(4,35)36)24-16-22-9-6-14-31-27(22)26(17-24)21-8-5-7-20(15-21)18-29(30,19-32)23-10-12-25(13-11-23)37(3,33)34/h7-23,40H,24H2,1-6H3;7-19H,6,20H2,1-5H3;7-19H,6,20H2,1-5H3;7-17,19-20,28,33H,18H2,1-6H3;5-15,17-18,26,28,35H,16H2,1-4H3;5-17,32H,18-19H2,1-4H3
InChIKeyBBBJLQCVMCZYMV-UHFFFAOYSA-N
XLogP36.06
TPSA586.40 Ų
H-Bond Donors4
H-Bond Acceptors37
Rotatable Bonds51
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003550.46
LogP ≤ 536.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1037

Analyze ethyl 2-fluoro-2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;ethyl 2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2-(4-fluorophenyl)-3-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;2-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1,1,1-trifluoro-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoate;4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoic acid;2-[4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]phenyl]propan-2-ol;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-6-propan-2-ylquinoline
CID 158732508
2-[4-(2-Tert-butylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-[2-(cyclopropylmethyl)phenyl]sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-cyclopropyl-4-pyridin-4-ylphenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;1-[[3-cyclopropyl-4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]sulfonylphenyl]methyl]cyclopropane-1-carboxamide;1,1,1-trifluoro-2-(4-isoquinolin-4-ylsulfonylphenyl)propan-2-ol;1,1,1-trifluoro-2-[4-(2-prop-2-enylphenyl)sulfonylphenyl]propan-2-ol;1,1,1-trifluoro-2-(4-quinolin-5-ylsulfonylphenyl)propan-2-ol
CID 160127339
8-[3-[(Z)-2-(5-methyl-2-pyridinyl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline;8-[3-[(E)-2-(5-methyl-2-pyridinyl)-2-(4-methylsulfonylphenyl)ethenyl]phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline;2-[6-[(E)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-3-pyridinyl]propan-2-ol
CID 91450456
[2-Fluoro-5-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]phenyl]methanol;8-[3-[4-(methylsulfonylmethyl)phenyl]phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline;1-[3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]phenyl]-1-phenylethanol;8-(3-phenylphenyl)-6-propan-2-ylquinoline
CID 157875598
4,4-Dimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-ol;ethyl 2-hydroxy-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;1-(4-fluorophenyl)-2-methyl-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-one;2-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2,4,4-trimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-one
CID 158059791
2-Cyclopropyl-3-fluoro-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1-cyclopropyl-2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-one;2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-one;2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1-phenylpropan-1-one;2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol
CID 158593908
(Z)-4-[3-[6-(2-cyanopropan-2-yl)quinolin-8-yl]phenyl]-2,2-dimethyl-3-(4-methylsulfonylphenyl)but-3-enamide;(E)-4-[3-[6-(2-cyanopropan-2-yl)quinolin-8-yl]phenyl]-3-(4-methylsulfonylphenyl)but-3-enenitrile;2-[8-[3-[(E)-3-(dimethylamino)-2-(4-methylsulfonylphenyl)prop-1-enyl]phenyl]quinolin-6-yl]-2-methylpropanenitrile;2-[8-[3-[(Z)-3-hydroxy-2-(4-methylsulfonylphenyl)prop-1-enyl]phenyl]quinolin-6-yl]-2-methylpropanenitrile
CID 158655880
Ethyl 4-[1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]sulfanylbenzoate;2-fluoro-4-hydroxy-4-methyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-one;4-hydroxy-4-methyl-2-(4-methylsulfanylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-one;2-methyl-4-(4-methylsulfonylphenyl)-5-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentane-2,3-diol;1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethanol;1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethanone
CID 158867096
2-[1-[[(Z)-3-[3-[6-(2-cyanopropan-2-yl)quinolin-8-yl]phenyl]-2-(4-methylsulfonylphenyl)prop-2-enyl]sulfanylmethyl]cyclopropyl]acetic acid;ethyl (Z)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-2-pyridin-4-ylprop-2-enoate;(Z)-2-methyl-4-[3-(6-propan-2-ylquinolin-8-yl)phenyl]-3-pyridin-4-ylbut-3-en-2-ol;6-propan-2-yl-8-[3-[(Z)-2-pyridin-4-ylethenyl]phenyl]quinoline;6-propan-2-yl-8-[3-[(E)-2-pyridin-4-ylethenyl]phenyl]quinoline
CID 158987646
(E)-N,N-dimethyl-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]prop-2-en-1-amine;8-[3-[(Z)-3-methylsulfonyl-2-(4-methylsulfonylphenyl)prop-1-enyl]phenyl]-6-(2-methylsulfonylpropan-2-yl)quinoline;2-[2-[(Z)-1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethenyl]-3H-pyrrol-4-yl]propan-2-ol;(Z)-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]prop-2-en-1-ol
CID 159288263
1-Cyclopropyl-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-one;2,3-dimethyl-4-(4-methylsulfonylphenyl)-5-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentane-2,3-diol;4,4-dimethyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-one;methyl 2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoic acid
CID 160407050
1,1-Dicyclopropyl-2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;3-ethyl-2-fluoro-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]pentan-3-ol;3-fluoro-2-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoic acid;3-methyl-2-(4-methylsulfonylphenyl)-1-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butane-2,3-diol;4,4,5-trimethyl-5-[1-(4-methylsulfonylphenyl)-2-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]ethyl]-1,3-dioxolan-2-one
CID 160948948

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;ethyl 2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2-(4-fluorophenyl)-3-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;2-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1,1,1-trifluoro-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol?
The IUPAC name of ethyl 2-fluoro-2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;ethyl 2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2-(4-fluorophenyl)-3-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;2-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1,1,1-trifluoro-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol (CID 157293403) is ethyl 2-fluoro-2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;ethyl 2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2-(4-fluorophenyl)-3-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;2-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1,1,1-trifluoro-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol.
What is the SMILES notation for ethyl 2-fluoro-2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;ethyl 2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2-(4-fluorophenyl)-3-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;2-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1,1,1-trifluoro-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol?
The canonical SMILES for ethyl 2-fluoro-2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;ethyl 2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2-(4-fluorophenyl)-3-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;2-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1,1,1-trifluoro-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol is CC(C)(O)C(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CC(C)(c1cc(-c2cccc(CC(F)(CO)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1)S(C)(=O)=O.CC(C)(c1cc(-c2cccc(CC(c3ccc(S(C)(=O)=O)cc3)C(O)C(F)(F)F)c2)c2ncccc2c1)S(C)(=O)=O.CC(O)(c1ccc(F)cc1)C(C)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CCOC(=O)C(F)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CCOC(=O)C(F)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(SC)cc1.
What is the InChIKey of ethyl 2-fluoro-2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;ethyl 2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2-(4-fluorophenyl)-3-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;2-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1,1,1-trifluoro-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol?
The InChIKey is BBBJLQCVMCZYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38FNO5S2.C31H32FNO6S2.C31H32FNO4S2.C31H35NO5S2.C30H30F3NO5S2.C29H30FNO5S2/c1-35(2,46(6,43)44)30-22-27-11-8-20-39-34(27)33(23-30)26-10-7-9-25(21-26)24-36(3,28-14-18-32(19-15-28)45(5,41)42)37(4,40)29-12-16-31(38)17-13-29;1-6-39-29(34)31(32,24-12-14-26(15-13-24)40(4,35)36)20-21-9-7-10-22(17-21)27-19-25(30(2,3)41(5,37)38)18-23-11-8-16-33-28(23)27;1-6-37-29(34)31(32,24-12-14-26(38-4)15-13-24)20-21-9-7-10-22(17-21)27-19-25(30(2,3)39(5,35)36)18-23-11-8-16-33-28(23)27;1-30(2,33)28(22-12-14-26(15-13-22)38(5,34)35)18-21-9-7-10-23(17-21)27-20-25(31(3,4)39(6,36)37)19-24-11-8-16-32-29(24)27;1-29(2,41(4,38)39)23-17-22-9-6-14-34-27(22)25(18-23)21-8-5-7-19(15-21)16-26(28(35)30(31,32)33)20-10-12-24(13-11-20)40(3,36)37;1-28(2,38(4,35)36)24-16-22-9-6-14-31-27(22)26(17-24)21-8-5-7-20(15-21)18-29(30,19-32)23-10-12-25(13-11-23)37(3,33)34/h7-23,40H,24H2,1-6H3;7-19H,6,20H2,1-5H3;7-19H,6,20H2,1-5H3;7-17,19-20,28,33H,18H2,1-6H3;5-15,17-18,26,28,35H,16H2,1-4H3;5-17,32H,18-19H2,1-4H3.
What are the key properties of ethyl 2-fluoro-2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;ethyl 2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2-(4-fluorophenyl)-3-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;2-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1,1,1-trifluoro-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol?
ethyl 2-fluoro-2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;ethyl 2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2-(4-fluorophenyl)-3-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;2-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1,1,1-trifluoro-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol has a molecular weight of 3550.46 g/mol, XLogP of 36.06, 51 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(4-methylsulfanylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;ethyl 2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propanoate;2-fluoro-2-(4-methylsulfonylphenyl)-3-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]propan-1-ol;2-(4-fluorophenyl)-3-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;2-methyl-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol;1,1,1-trifluoro-3-(4-methylsulfonylphenyl)-4-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]butan-2-ol is sourced from PubChem (CID 157293403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).