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

C189H199FN6O32S13 — CID 158867096

IUPACethyl 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
SMILESCC(C)(O)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)C(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CC(C)(c1cc(-c2cccc(CC(=O)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1)S(C)(=O)=O.CC(C)(c1cc(-c2cccc(CC(O)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1)S(C)(=O)=O.CCOC(=O)c1ccc(SC(Cc2cccc(-c3cc(C(C)(C)S(C)(=O)=O)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)cc1.CSc1ccc(C(Cc2cccc(-c3cc(C(C)(C)S(C)(=O)=O)cc4cccnc34)c2)C(=O)C(C)(C)O)cc1
InChIInChI=1S/C37H37NO6S3.C32H34FNO6S2.C32H37NO6S2.C32H35NO4S2.C28H29NO5S2.C28H27NO5S2/c1-6-44-36(39)27-12-16-31(17-13-27)45-34(26-14-18-32(19-15-26)46(4,40)41)22-25-9-7-10-28(21-25)33-24-30(37(2,3)47(5,42)43)23-29-11-8-20-38-35(29)33;1-30(2,36)29(35)32(33,24-12-14-26(15-13-24)41(5,37)38)20-21-9-7-10-22(17-21)27-19-25(31(3,4)42(6,39)40)18-23-11-8-16-34-28(23)27;1-31(2,35)30(34)28(22-12-14-26(15-13-22)40(5,36)37)18-21-9-7-10-23(17-21)27-20-25(32(3,4)41(6,38)39)19-24-11-8-16-33-29(24)27;1-31(2,35)30(34)28(22-12-14-26(38-5)15-13-22)18-21-9-7-10-23(17-21)27-20-25(32(3,4)39(6,36)37)19-24-11-8-16-33-29(24)27;2*1-28(2,36(4,33)34)23-17-22-9-6-14-29-27(22)25(18-23)21-8-5-7-19(15-21)16-26(30)20-10-12-24(13-11-20)35(3,31)32/h7-21,23-24,34H,6,22H2,1-5H3;7-19,36H,20H2,1-6H3;7-17,19-20,28,30,34-35H,18H2,1-6H3;7-17,19-20,28,35H,18H2,1-6H3;5-15,17-18,26,30H,16H2,1-4H3;5-15,17-18H,16H2,1-4H3
InChIKeyJBJKJEIPJDLYHM-UHFFFAOYSA-N
MW3502.55 g/mol
LogP34.65
Rot. Bonds52

About 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

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 (PubChem CID 158867096) has the molecular formula C189H199FN6O32S13 and a molecular weight of 3502.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl 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
PubChem CID158867096
Molecular FormulaC189H199FN6O32S13
Molecular Weight3502.55 g/mol
Exact Mass3499.05
IUPAC Nameethyl 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
SMILESCC(C)(O)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)C(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CC(C)(c1cc(-c2cccc(CC(=O)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1)S(C)(=O)=O.CC(C)(c1cc(-c2cccc(CC(O)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1)S(C)(=O)=O.CCOC(=O)c1ccc(SC(Cc2cccc(-c3cc(C(C)(C)S(C)(=O)=O)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)cc1.CSc1ccc(C(Cc2cccc(-c3cc(C(C)(C)S(C)(=O)=O)cc4cccnc34)c2)C(=O)C(C)(C)O)cc1
InChIInChI=1S/C37H37NO6S3.C32H34FNO6S2.C32H37NO6S2.C32H35NO4S2.C28H29NO5S2.C28H27NO5S2/c1-6-44-36(39)27-12-16-31(17-13-27)45-34(26-14-18-32(19-15-26)46(4,40)41)22-25-9-7-10-28(21-25)33-24-30(37(2,3)47(5,42)43)23-29-11-8-20-38-35(29)33;1-30(2,36)29(35)32(33,24-12-14-26(15-13-24)41(5,37)38)20-21-9-7-10-22(17-21)27-19-25(31(3,4)42(6,39)40)18-23-11-8-16-34-28(23)27;1-31(2,35)30(34)28(22-12-14-26(15-13-22)40(5,36)37)18-21-9-7-10-23(17-21)27-20-25(32(3,4)41(6,38)39)19-24-11-8-16-33-29(24)27;1-31(2,35)30(34)28(22-12-14-26(38-5)15-13-22)18-21-9-7-10-23(17-21)27-20-25(32(3,4)39(6,36)37)19-24-11-8-16-33-29(24)27;2*1-28(2,36(4,33)34)23-17-22-9-6-14-29-27(22)25(18-23)21-8-5-7-19(15-21)16-26(30)20-10-12-24(13-11-20)35(3,31)32/h7-21,23-24,34H,6,22H2,1-5H3;7-19,36H,20H2,1-6H3;7-17,19-20,28,30,34-35H,18H2,1-6H3;7-17,19-20,28,35H,18H2,1-6H3;5-15,17-18,26,30H,16H2,1-4H3;5-15,17-18H,16H2,1-4H3
InChIKeyJBJKJEIPJDLYHM-UHFFFAOYSA-N
XLogP34.65
TPSA631.54 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds52
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003502.55
LogP ≤ 534.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(O)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)C(Cc1cccc(-c2cc(C(C)(C)S(C)(=O)=O)cc3cccnc23)c1)c1ccc(S(C)(=O)=O)cc1.CC(C)(c1cc(-c2cccc(CC(=O)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1)S(C)(=O)=O.CC(C)(c1cc(-c2cccc(CC(O)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1)S(C)(=O)=O.CCOC(=O)c1ccc(SC(Cc2cccc(-c3cc(C(C)(C)S(C)(=O)=O)cc4cccnc34)c2)c2ccc(S(C)(=O)=O)cc2)cc1.CSc1ccc(C(Cc2cccc(-c3cc(C(C)(C)S(C)(=O)=O)cc4cccnc34)c2)C(=O)C(C)(C)O)cc1.
What is the InChIKey of 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?
The InChIKey is JBJKJEIPJDLYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37NO6S3.C32H34FNO6S2.C32H37NO6S2.C32H35NO4S2.C28H29NO5S2.C28H27NO5S2/c1-6-44-36(39)27-12-16-31(17-13-27)45-34(26-14-18-32(19-15-26)46(4,40)41)22-25-9-7-10-28(21-25)33-24-30(37(2,3)47(5,42)43)23-29-11-8-20-38-35(29)33;1-30(2,36)29(35)32(33,24-12-14-26(15-13-24)41(5,37)38)20-21-9-7-10-22(17-21)27-19-25(31(3,4)42(6,39)40)18-23-11-8-16-34-28(23)27;1-31(2,35)30(34)28(22-12-14-26(15-13-22)40(5,36)37)18-21-9-7-10-23(17-21)27-20-25(32(3,4)41(6,38)39)19-24-11-8-16-33-29(24)27;1-31(2,35)30(34)28(22-12-14-26(38-5)15-13-22)18-21-9-7-10-23(17-21)27-20-25(32(3,4)39(6,36)37)19-24-11-8-16-33-29(24)27;2*1-28(2,36(4,33)34)23-17-22-9-6-14-29-27(22)25(18-23)21-8-5-7-19(15-21)16-26(30)20-10-12-24(13-11-20)35(3,31)32/h7-21,23-24,34H,6,22H2,1-5H3;7-19,36H,20H2,1-6H3;7-17,19-20,28,30,34-35H,18H2,1-6H3;7-17,19-20,28,35H,18H2,1-6H3;5-15,17-18,26,30H,16H2,1-4H3;5-15,17-18H,16H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 3502.55 g/mol, XLogP of 34.65, 52 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158867096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).