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

C193H210F4N6O34S12 — CID 160948948

IUPAC1,1-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
SMILESCC(C)(O)C(F)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CC(C)(O)C(O)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CC(C)(c1cc(-c2cccc(CC(F)(C(=O)O)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1)S(C)(=O)=O.CC(C)(c1cc(-c2cccc(CC(F)(c3ccc(S(C)(=O)=O)cc3)C(O)(C3CC3)C3CC3)c2)c2ncccc2c1)S(C)(=O)=O.CC1(C)OC(=O)OC1(C)C(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CCC(O)(CC)C(F)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C35H38FNO5S2.C34H37NO7S2.C33H38FNO5S2.C31H34FNO5S2.C31H35NO6S2.C29H28FNO6S2/c1-33(2,44(4,41)42)29-20-25-9-6-18-37-32(25)31(21-29)24-8-5-7-23(19-24)22-34(36,35(38,27-10-11-27)28-12-13-28)26-14-16-30(17-15-26)43(3,39)40;1-32(2,44(7,39)40)26-20-25-12-9-17-35-30(25)28(21-26)24-11-8-10-22(18-24)19-29(34(5)33(3,4)41-31(36)42-34)23-13-15-27(16-14-23)43(6,37)38;1-7-32(36,8-2)33(34,26-14-16-28(17-15-26)41(5,37)38)22-23-11-9-12-24(19-23)29-21-27(31(3,4)42(6,39)40)20-25-13-10-18-35-30(25)29;1-29(2,40(6,37)38)25-18-23-11-8-16-33-28(23)27(19-25)22-10-7-9-21(17-22)20-31(32,30(3,4)34)24-12-14-26(15-13-24)39(5,35)36;1-29(2,40(6,37)38)25-18-23-11-8-16-32-28(23)27(19-25)22-10-7-9-21(17-22)20-31(34,30(3,4)33)24-12-14-26(15-13-24)39(5,35)36;1-28(2,39(4,36)37)23-16-21-9-6-14-31-26(21)25(17-23)20-8-5-7-19(15-20)18-29(30,27(32)33)22-10-12-24(13-11-22)38(3,34)35/h5-9,14-21,27-28,38H,10-13,22H2,1-4H3;8-18,20-21,29H,19H2,1-7H3;9-21,36H,7-8,22H2,1-6H3;7-19,34H,20H2,1-6H3;7-19,33-34H,20H2,1-6H3;5-17H,18H2,1-4H3,(H,32,33)
InChIKeySVMPHCKIUPFZFZ-UHFFFAOYSA-N
MW3618.61 g/mol
LogP35.33
Rot. Bonds52

About 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

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 (PubChem CID 160948948) has the molecular formula C193H210F4N6O34S12 and a molecular weight of 3618.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,1-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
PubChem CID160948948
Molecular FormulaC193H210F4N6O34S12
Molecular Weight3618.61 g/mol
Exact Mass3615.15
IUPAC Name1,1-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
SMILESCC(C)(O)C(F)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CC(C)(O)C(O)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CC(C)(c1cc(-c2cccc(CC(F)(C(=O)O)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1)S(C)(=O)=O.CC(C)(c1cc(-c2cccc(CC(F)(c3ccc(S(C)(=O)=O)cc3)C(O)(C3CC3)C3CC3)c2)c2ncccc2c1)S(C)(=O)=O.CC1(C)OC(=O)OC1(C)C(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CCC(O)(CC)C(F)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C35H38FNO5S2.C34H37NO7S2.C33H38FNO5S2.C31H34FNO5S2.C31H35NO6S2.C29H28FNO6S2/c1-33(2,44(4,41)42)29-20-25-9-6-18-37-32(25)31(21-29)24-8-5-7-23(19-24)22-34(36,35(38,27-10-11-27)28-12-13-28)26-14-16-30(17-15-26)43(3,39)40;1-32(2,44(7,39)40)26-20-25-12-9-17-35-30(25)28(21-26)24-11-8-10-22(18-24)19-29(34(5)33(3,4)41-31(36)42-34)23-13-15-27(16-14-23)43(6,37)38;1-7-32(36,8-2)33(34,26-14-16-28(17-15-26)41(5,37)38)22-23-11-9-12-24(19-23)29-21-27(31(3,4)42(6,39)40)20-25-13-10-18-35-30(25)29;1-29(2,40(6,37)38)25-18-23-11-8-16-33-28(23)27(19-25)22-10-7-9-21(17-22)20-31(32,30(3,4)34)24-12-14-26(15-13-24)39(5,35)36;1-29(2,40(6,37)38)25-18-23-11-8-16-32-28(23)27(19-25)22-10-7-9-21(17-22)20-31(34,30(3,4)33)24-12-14-26(15-13-24)39(5,35)36;1-28(2,39(4,36)37)23-16-21-9-6-14-31-26(21)25(17-23)20-8-5-7-19(15-20)18-29(30,27(32)33)22-10-12-24(13-11-22)38(3,34)35/h5-9,14-21,27-28,38H,10-13,22H2,1-4H3;8-18,20-21,29H,19H2,1-7H3;9-21,36H,7-8,22H2,1-6H3;7-19,34H,20H2,1-6H3;7-19,33-34H,20H2,1-6H3;5-17H,18H2,1-4H3,(H,32,33)
InChIKeySVMPHCKIUPFZFZ-UHFFFAOYSA-N
XLogP35.33
TPSA661.00 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds52
Heavy Atoms249
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003618.61
LogP ≤ 535.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(O)C(F)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CC(C)(O)C(O)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CC(C)(c1cc(-c2cccc(CC(F)(C(=O)O)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1)S(C)(=O)=O.CC(C)(c1cc(-c2cccc(CC(F)(c3ccc(S(C)(=O)=O)cc3)C(O)(C3CC3)C3CC3)c2)c2ncccc2c1)S(C)(=O)=O.CC1(C)OC(=O)OC1(C)C(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CCC(O)(CC)C(F)(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 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?
The InChIKey is SVMPHCKIUPFZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38FNO5S2.C34H37NO7S2.C33H38FNO5S2.C31H34FNO5S2.C31H35NO6S2.C29H28FNO6S2/c1-33(2,44(4,41)42)29-20-25-9-6-18-37-32(25)31(21-29)24-8-5-7-23(19-24)22-34(36,35(38,27-10-11-27)28-12-13-28)26-14-16-30(17-15-26)43(3,39)40;1-32(2,44(7,39)40)26-20-25-12-9-17-35-30(25)28(21-26)24-11-8-10-22(18-24)19-29(34(5)33(3,4)41-31(36)42-34)23-13-15-27(16-14-23)43(6,37)38;1-7-32(36,8-2)33(34,26-14-16-28(17-15-26)41(5,37)38)22-23-11-9-12-24(19-23)29-21-27(31(3,4)42(6,39)40)20-25-13-10-18-35-30(25)29;1-29(2,40(6,37)38)25-18-23-11-8-16-33-28(23)27(19-25)22-10-7-9-21(17-22)20-31(32,30(3,4)34)24-12-14-26(15-13-24)39(5,35)36;1-29(2,40(6,37)38)25-18-23-11-8-16-32-28(23)27(19-25)22-10-7-9-21(17-22)20-31(34,30(3,4)33)24-12-14-26(15-13-24)39(5,35)36;1-28(2,39(4,36)37)23-16-21-9-6-14-31-26(21)25(17-23)20-8-5-7-19(15-20)18-29(30,27(32)33)22-10-12-24(13-11-22)38(3,34)35/h5-9,14-21,27-28,38H,10-13,22H2,1-4H3;8-18,20-21,29H,19H2,1-7H3;9-21,36H,7-8,22H2,1-6H3;7-19,34H,20H2,1-6H3;7-19,33-34H,20H2,1-6H3;5-17H,18H2,1-4H3,(H,32,33).
What are the key properties of 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?
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 has a molecular weight of 3618.61 g/mol, XLogP of 35.33, 52 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160948948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).