[4-(2,5-difluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 3-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-(2-fluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone

C200H194F4N24O26S7 — CID 161381623

IUPAC[4-(2,5-difluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 3-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-(2-fluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
SMILESCC(C)Oc1cccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.CCOC(=O)c1cccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.COc1cccnc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)CC1.COc1ccncc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)CC1.Cc1cc(C(=O)N2CCN(Cc3cncc(F)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(c2cc(F)ccc2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C30H29N3O5S.C30H31N3O4S.2C29H30N4O4S.C28H27FN4O3S.C27H23F2N3O3S.C27H24FN3O3S/c1-2-38-30(35)25-7-3-9-26(20-25)32-16-18-33(19-17-32)29(34)24-13-11-22(12-14-24)21-39(36,37)27-10-4-6-23-8-5-15-31-28(23)27;1-22(2)37-27-9-4-8-26(20-27)32-16-18-33(19-17-32)30(34)25-13-11-23(12-14-25)21-38(35,36)28-10-3-6-24-7-5-15-31-29(24)28;1-21-18-23(29(34)33-16-14-32(15-17-33)19-25-26(37-2)8-5-12-30-25)10-11-24(21)20-38(35,36)27-9-3-6-22-7-4-13-31-28(22)27;1-21-17-23(29(34)33-15-13-32(14-16-33)19-25-18-30-12-10-26(25)37-2)8-9-24(21)20-38(35,36)27-7-3-5-22-6-4-11-31-28(22)27;1-20-14-23(28(34)33-12-10-32(11-13-33)18-21-15-25(29)17-30-16-21)7-8-24(20)19-37(35,36)26-6-2-4-22-5-3-9-31-27(22)26;28-22-10-11-23(29)24(17-22)31-13-15-32(16-14-31)27(33)21-8-6-19(7-9-21)18-36(34,35)25-5-1-3-20-4-2-12-30-26(20)25;28-23-7-1-2-8-24(23)30-15-17-31(18-16-30)27(32)22-12-10-20(11-13-22)19-35(33,34)25-9-3-5-21-6-4-14-29-26(21)25/h3-15,20H,2,16-19,21H2,1H3;3-15,20,22H,16-19,21H2,1-2H3;3-13,18H,14-17,19-20H2,1-2H3;3-12,17-18H,13-16,19-20H2,1-2H3;2-9,14-17H,10-13,18-19H2,1H3;1-12,17H,13-16,18H2;1-14H,15-19H2
InChIKeyVRUJZOMRGRFJTG-UHFFFAOYSA-N
MW3650.35 g/mol
LogP29.83
Rot. Bonds44

About [4-(2,5-difluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 3-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-(2-fluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone

[4-(2,5-difluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 3-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-(2-fluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone (PubChem CID 161381623) has the molecular formula C200H194F4N24O26S7 and a molecular weight of 3650.35 g/mol. Its IUPAC name is [4-(2,5-difluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 3-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-(2-fluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2,5-difluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 3-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-(2-fluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
PubChem CID161381623
Molecular FormulaC200H194F4N24O26S7
Molecular Weight3650.35 g/mol
Exact Mass3647.26
IUPAC Name[4-(2,5-difluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 3-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-(2-fluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
SMILESCC(C)Oc1cccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.CCOC(=O)c1cccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.COc1cccnc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)CC1.COc1ccncc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)CC1.Cc1cc(C(=O)N2CCN(Cc3cncc(F)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(c2cc(F)ccc2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C30H29N3O5S.C30H31N3O4S.2C29H30N4O4S.C28H27FN4O3S.C27H23F2N3O3S.C27H24FN3O3S/c1-2-38-30(35)25-7-3-9-26(20-25)32-16-18-33(19-17-32)29(34)24-13-11-22(12-14-24)21-39(36,37)27-10-4-6-23-8-5-15-31-28(23)27;1-22(2)37-27-9-4-8-26(20-27)32-16-18-33(19-17-32)30(34)25-13-11-23(12-14-25)21-38(35,36)28-10-3-6-24-7-5-15-31-29(24)28;1-21-18-23(29(34)33-16-14-32(15-17-33)19-25-26(37-2)8-5-12-30-25)10-11-24(21)20-38(35,36)27-9-3-6-22-7-4-13-31-28(22)27;1-21-17-23(29(34)33-15-13-32(14-16-33)19-25-18-30-12-10-26(25)37-2)8-9-24(21)20-38(35,36)27-7-3-5-22-6-4-11-31-28(22)27;1-20-14-23(28(34)33-12-10-32(11-13-33)18-21-15-25(29)17-30-16-21)7-8-24(20)19-37(35,36)26-6-2-4-22-5-3-9-31-27(22)26;28-22-10-11-23(29)24(17-22)31-13-15-32(16-14-31)27(33)21-8-6-19(7-9-21)18-36(34,35)25-5-1-3-20-4-2-12-30-26(20)25;28-23-7-1-2-8-24(23)30-15-17-31(18-16-30)27(32)22-12-10-20(11-13-22)19-35(33,34)25-9-3-5-21-6-4-14-29-26(21)25/h3-15,20H,2,16-19,21H2,1H3;3-15,20,22H,16-19,21H2,1-2H3;3-13,18H,14-17,19-20H2,1-2H3;3-12,17-18H,13-16,19-20H2,1-2H3;2-9,14-17H,10-13,18-19H2,1H3;1-12,17H,13-16,18H2;1-14H,15-19H2
InChIKeyVRUJZOMRGRFJTG-UHFFFAOYSA-N
XLogP29.83
TPSA586.72 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds44
Heavy Atoms261
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003650.35
LogP ≤ 529.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze [4-(2,5-difluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 3-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-(2-fluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-[(3-Fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 157339022
4-[[7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-yl]oxymethyl]benzamide;7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]quinolin-2-one;(1S)-1-[7-methyl-2-[(3-methylsulfonylphenyl)methoxy]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-methyl-2-[(4-methylsulfonylphenyl)methoxy]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 158467503
[4-(Cyclohexylmethyl)piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,5-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone
CID 158965906
Carbon dioxide;[4-(5-ethyl-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone;[4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 160606886
1-(Cyclopropylmethyl)-7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-6-[1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1-[(3-methylsulfonylphenyl)methyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;1-[7-methyl-2-[(3-methylsulfonylphenyl)methoxy]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-[[3-(trifluoromethyl)phenyl]methoxy]quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 161388108
[4-[(3-Chloro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-ethylsulfanylphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methylphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methylsulfanylphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]methanone
CID 161658421
1-(cyclopropylmethyl)-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-1-[(3-methylsulfonylphenyl)methyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;(1S)-1-[7-methyl-2-[(3-methylsulfonylphenyl)methoxy]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;(1S)-1-[7-methyl-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-2-[[3-(trifluoromethyl)phenyl]methoxy]quinolin-6-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
CID 169430724
[4-[(3,5-Dimethoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 147584377
2-(4-Fluorophenyl)-2-methyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-methyl-2-phenyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-(naphthalene-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 157161025
[4-[(4-butylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;cyclohexyl-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methanone;[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-(2-methoxyphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide;N-(3-methoxyphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide;N-phenyl-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide
CID 157183710
[4-[(3-Chlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(cyclopropylmethyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(pyridin-4-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 157840513
(3-benzylazetidin-1-yl)-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[(2-methoxyphenyl)methyl]azetidin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[(2-methoxyphenyl)methyl]azetidin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-(N-methylanilino)azetidin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-(3-phenoxyazetidin-1-yl)methanone
CID 157979363

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-difluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 3-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-(2-fluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The IUPAC name of [4-(2,5-difluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 3-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-(2-fluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone (CID 161381623) is [4-(2,5-difluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 3-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-(2-fluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone.
What is the SMILES notation for [4-(2,5-difluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 3-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-(2-fluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The canonical SMILES for [4-(2,5-difluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 3-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-(2-fluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone is CC(C)Oc1cccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.CCOC(=O)c1cccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.COc1cccnc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)CC1.COc1ccncc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)CC1.Cc1cc(C(=O)N2CCN(Cc3cncc(F)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(c2cc(F)ccc2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2,5-difluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 3-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-(2-fluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The InChIKey is VRUJZOMRGRFJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O5S.C30H31N3O4S.2C29H30N4O4S.C28H27FN4O3S.C27H23F2N3O3S.C27H24FN3O3S/c1-2-38-30(35)25-7-3-9-26(20-25)32-16-18-33(19-17-32)29(34)24-13-11-22(12-14-24)21-39(36,37)27-10-4-6-23-8-5-15-31-28(23)27;1-22(2)37-27-9-4-8-26(20-27)32-16-18-33(19-17-32)30(34)25-13-11-23(12-14-25)21-38(35,36)28-10-3-6-24-7-5-15-31-29(24)28;1-21-18-23(29(34)33-16-14-32(15-17-33)19-25-26(37-2)8-5-12-30-25)10-11-24(21)20-38(35,36)27-9-3-6-22-7-4-13-31-28(22)27;1-21-17-23(29(34)33-15-13-32(14-16-33)19-25-18-30-12-10-26(25)37-2)8-9-24(21)20-38(35,36)27-7-3-5-22-6-4-11-31-28(22)27;1-20-14-23(28(34)33-12-10-32(11-13-33)18-21-15-25(29)17-30-16-21)7-8-24(20)19-37(35,36)26-6-2-4-22-5-3-9-31-27(22)26;28-22-10-11-23(29)24(17-22)31-13-15-32(16-14-31)27(33)21-8-6-19(7-9-21)18-36(34,35)25-5-1-3-20-4-2-12-30-26(20)25;28-23-7-1-2-8-24(23)30-15-17-31(18-16-30)27(32)22-12-10-20(11-13-22)19-35(33,34)25-9-3-5-21-6-4-14-29-26(21)25/h3-15,20H,2,16-19,21H2,1H3;3-15,20,22H,16-19,21H2,1-2H3;3-13,18H,14-17,19-20H2,1-2H3;3-12,17-18H,13-16,19-20H2,1-2H3;2-9,14-17H,10-13,18-19H2,1H3;1-12,17H,13-16,18H2;1-14H,15-19H2.
What are the key properties of [4-(2,5-difluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 3-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-(2-fluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
[4-(2,5-difluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 3-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-(2-fluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone has a molecular weight of 3650.35 g/mol, XLogP of 29.83, 44 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-difluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 3-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-(2-fluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone is sourced from PubChem (CID 161381623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).