[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[3-(dimethylamino)phenyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-ethylphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 2-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C231H222Cl3F5N26O30S8 — CID 158717690

IUPAC[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[3-(dimethylamino)phenyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-ethylphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 2-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCCOC(=O)c1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.CCc1cccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.CN(C)c1cccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.COc1cc(C(=O)N2CCN(Cc3ccc(F)c(Cl)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3cccc(Cl)c3Cl)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ccccc3F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3cccnc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C30H29N3O5S.C29H27Cl2N3O4S.C29H27ClFN3O4S.C29H28FN3O4S.C29H30N4O3S.C29H29N3O3S.C28H24F3N3O3S.C28H28N4O4S/c1-2-38-30(35)25-9-3-4-10-26(25)32-17-19-33(20-18-32)29(34)24-14-12-22(13-15-24)21-39(36,37)27-11-5-7-23-8-6-16-31-28(23)27;1-38-25-17-21(29(35)34-15-13-33(14-16-34)18-22-6-2-8-24(30)27(22)31)10-11-23(25)19-39(36,37)26-9-3-5-20-7-4-12-32-28(20)26;1-38-26-17-22(29(35)34-14-12-33(13-15-34)18-20-7-10-25(31)24(30)16-20)8-9-23(26)19-39(36,37)27-6-2-4-21-5-3-11-32-28(21)27;1-37-26-18-22(29(34)33-16-14-32(15-17-33)19-23-6-2-3-9-25(23)30)11-12-24(26)20-38(35,36)27-10-4-7-21-8-5-13-31-28(21)27;1-31(2)25-8-4-9-26(20-25)32-16-18-33(19-17-32)29(34)24-13-11-22(12-14-24)21-37(35,36)27-10-3-6-23-7-5-15-30-28(23)27;1-2-22-6-3-9-26(20-22)31-16-18-32(19-17-31)29(33)25-13-11-23(12-14-25)21-36(34,35)27-10-4-7-24-8-5-15-30-28(24)27;29-28(30,31)23-7-1-2-8-24(23)33-15-17-34(18-16-33)27(35)22-12-10-20(11-13-22)19-38(36,37)25-9-3-5-21-6-4-14-32-26(21)25;1-36-25-17-23(28(33)32-15-13-31(14-16-32)19-21-5-3-11-29-18-21)9-10-24(25)20-37(34,35)26-8-2-6-22-7-4-12-30-27(22)26/h3-16H,2,17-21H2,1H3;2-12,17H,13-16,18-19H2,1H3;2-11,16-17H,12-15,18-19H2,1H3;2-13,18H,14-17,19-20H2,1H3;3-15,20H,16-19,21H2,1-2H3;3-15,20H,2,16-19,21H2,1H3;1-14H,15-19H2;2-12,17-18H,13-16,19-20H2,1H3
InChIKeyIJNHGXJPLFJMGE-UHFFFAOYSA-N
MW4300.35 g/mol
LogP36.84
Rot. Bonds52

About [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[3-(dimethylamino)phenyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-ethylphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 2-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[3-(dimethylamino)phenyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-ethylphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 2-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 158717690) has the molecular formula C231H222Cl3F5N26O30S8 and a molecular weight of 4300.35 g/mol. Its IUPAC name is [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[3-(dimethylamino)phenyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-ethylphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 2-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[3-(dimethylamino)phenyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-ethylphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 2-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID158717690
Molecular FormulaC231H222Cl3F5N26O30S8
Molecular Weight4300.35 g/mol
Exact Mass4295.34
IUPAC Name[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[3-(dimethylamino)phenyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-ethylphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 2-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCCOC(=O)c1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.CCc1cccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.CN(C)c1cccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.COc1cc(C(=O)N2CCN(Cc3ccc(F)c(Cl)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3cccc(Cl)c3Cl)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ccccc3F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3cccnc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C30H29N3O5S.C29H27Cl2N3O4S.C29H27ClFN3O4S.C29H28FN3O4S.C29H30N4O3S.C29H29N3O3S.C28H24F3N3O3S.C28H28N4O4S/c1-2-38-30(35)25-9-3-4-10-26(25)32-17-19-33(20-18-32)29(34)24-14-12-22(13-15-24)21-39(36,37)27-11-5-7-23-8-6-16-31-28(23)27;1-38-25-17-21(29(35)34-15-13-33(14-16-34)18-22-6-2-8-24(30)27(22)31)10-11-23(25)19-39(36,37)26-9-3-5-20-7-4-12-32-28(20)26;1-38-26-17-22(29(35)34-14-12-33(13-15-34)18-20-7-10-25(31)24(30)16-20)8-9-23(26)19-39(36,37)27-6-2-4-21-5-3-11-32-28(21)27;1-37-26-18-22(29(34)33-16-14-32(15-17-33)19-23-6-2-3-9-25(23)30)11-12-24(26)20-38(35,36)27-10-4-7-21-8-5-13-31-28(21)27;1-31(2)25-8-4-9-26(20-25)32-16-18-33(19-17-32)29(34)24-13-11-22(12-14-24)21-37(35,36)27-10-3-6-23-7-5-15-30-28(23)27;1-2-22-6-3-9-26(20-22)31-16-18-32(19-17-31)29(33)25-13-11-23(12-14-25)21-36(34,35)27-10-4-7-24-8-5-15-30-28(24)27;29-28(30,31)23-7-1-2-8-24(23)33-15-17-34(18-16-33)27(35)22-12-10-20(11-13-22)19-38(36,37)25-9-3-5-21-6-4-14-32-26(21)25;1-36-25-17-23(28(33)32-15-13-31(14-16-32)19-21-5-3-11-29-18-21)9-10-24(25)20-37(34,35)26-8-2-6-22-7-4-12-30-27(22)26/h3-16H,2,17-21H2,1H3;2-12,17H,13-16,18-19H2,1H3;2-11,16-17H,12-15,18-19H2,1H3;2-13,18H,14-17,19-20H2,1H3;3-15,20H,16-19,21H2,1-2H3;3-15,20H,2,16-19,21H2,1H3;1-14H,15-19H2;2-12,17-18H,13-16,19-20H2,1H3
InChIKeyIJNHGXJPLFJMGE-UHFFFAOYSA-N
XLogP36.84
TPSA643.99 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds52
Heavy Atoms303
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004300.35
LogP ≤ 536.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[3-(dimethylamino)phenyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-ethylphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 2-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone
CID 59635033
[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone
CID 59634778
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,3-difluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-ethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-fluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-fluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-fluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-hydroxy-3-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 159096258
[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylquinoline-8-sulfonamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(quinolin-8-ylsulfonylmethyl)-2-pyridinyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(quinolin-8-ylsulfonylmethyl)-3-pyridinyl]methanone
CID 157091488
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59634770
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 149242846
N-[4-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]quinoline-8-sulfonamide;(4-benzyl-1,4-diazepan-1-yl)-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methanone;[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(4-phenyl-1,4-diazepan-1-yl)-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-propoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 161345842
[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]methanone
CID 157339023
[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 158170125
[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 149221792
[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone
CID 59634824
[4-[(2-ethylphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 148859589

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[3-(dimethylamino)phenyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-ethylphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 2-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[3-(dimethylamino)phenyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-ethylphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 2-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 158717690) is [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[3-(dimethylamino)phenyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-ethylphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 2-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[3-(dimethylamino)phenyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-ethylphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 2-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[3-(dimethylamino)phenyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-ethylphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 2-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is CCOC(=O)c1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.CCc1cccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.CN(C)c1cccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.COc1cc(C(=O)N2CCN(Cc3ccc(F)c(Cl)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3cccc(Cl)c3Cl)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ccccc3F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3cccnc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[3-(dimethylamino)phenyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-ethylphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 2-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is IJNHGXJPLFJMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O5S.C29H27Cl2N3O4S.C29H27ClFN3O4S.C29H28FN3O4S.C29H30N4O3S.C29H29N3O3S.C28H24F3N3O3S.C28H28N4O4S/c1-2-38-30(35)25-9-3-4-10-26(25)32-17-19-33(20-18-32)29(34)24-14-12-22(13-15-24)21-39(36,37)27-11-5-7-23-8-6-16-31-28(23)27;1-38-25-17-21(29(35)34-15-13-33(14-16-34)18-22-6-2-8-24(30)27(22)31)10-11-23(25)19-39(36,37)26-9-3-5-20-7-4-12-32-28(20)26;1-38-26-17-22(29(35)34-14-12-33(13-15-34)18-20-7-10-25(31)24(30)16-20)8-9-23(26)19-39(36,37)27-6-2-4-21-5-3-11-32-28(21)27;1-37-26-18-22(29(34)33-16-14-32(15-17-33)19-23-6-2-3-9-25(23)30)11-12-24(26)20-38(35,36)27-10-4-7-21-8-5-13-31-28(21)27;1-31(2)25-8-4-9-26(20-25)32-16-18-33(19-17-32)29(34)24-13-11-22(12-14-24)21-37(35,36)27-10-3-6-23-7-5-15-30-28(23)27;1-2-22-6-3-9-26(20-22)31-16-18-32(19-17-31)29(33)25-13-11-23(12-14-25)21-36(34,35)27-10-4-7-24-8-5-15-30-28(24)27;29-28(30,31)23-7-1-2-8-24(23)33-15-17-34(18-16-33)27(35)22-12-10-20(11-13-22)19-38(36,37)25-9-3-5-21-6-4-14-32-26(21)25;1-36-25-17-23(28(33)32-15-13-31(14-16-32)19-21-5-3-11-29-18-21)9-10-24(25)20-37(34,35)26-8-2-6-22-7-4-12-30-27(22)26/h3-16H,2,17-21H2,1H3;2-12,17H,13-16,18-19H2,1H3;2-11,16-17H,12-15,18-19H2,1H3;2-13,18H,14-17,19-20H2,1H3;3-15,20H,16-19,21H2,1-2H3;3-15,20H,2,16-19,21H2,1H3;1-14H,15-19H2;2-12,17-18H,13-16,19-20H2,1H3.
What are the key properties of [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[3-(dimethylamino)phenyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-ethylphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 2-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[3-(dimethylamino)phenyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-ethylphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 2-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 4300.35 g/mol, XLogP of 36.84, 52 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[3-(dimethylamino)phenyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-ethylphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 2-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 158717690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).