[4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-cyclohexylethyl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[2-fluoro-4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone

C163H159ClF5N25O23S6 — CID 159714007

IUPAC[4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-cyclohexylethyl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[2-fluoro-4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)OCCC3CCCCC3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(CC2CCOC2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(C(F)(F)F)cn2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccncc2Cl)CC1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(C(=O)c2ccccn2)CC1.O=C(c1cccnc1)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1
InChIInChI=1S/C30H36N4O5S.C28H25F3N4O3S.C27H25ClN4O3S.2C26H22FN5O4S.C26H29N3O4S/c1-22-21-25(12-13-26(22)32-40(37,38)27-11-5-9-24-10-6-15-31-28(24)27)29(35)33-16-18-34(19-17-33)30(36)39-20-14-23-7-3-2-4-8-23;29-28(30,31)23-10-11-24(33-17-23)18-34-13-15-35(16-14-34)27(36)22-8-6-20(7-9-22)19-39(37,38)25-5-1-3-21-4-2-12-32-26(21)25;28-24-17-29-12-10-23(24)18-31-13-15-32(16-14-31)27(33)22-8-6-20(7-9-22)19-36(34,35)25-5-1-3-21-4-2-11-30-26(21)25;27-21-16-19(25(33)31-12-14-32(15-13-31)26(34)20-6-2-10-28-17-20)8-9-22(21)30-37(35,36)23-7-1-4-18-5-3-11-29-24(18)23;27-20-17-19(25(33)31-13-15-32(16-14-31)26(34)22-7-1-2-11-28-22)9-10-21(20)30-37(35,36)23-8-3-5-18-6-4-12-29-24(18)23;30-26(29-14-12-28(13-15-29)17-21-10-16-33-18-21)23-8-6-20(7-9-23)19-34(31,32)24-5-1-3-22-4-2-11-27-25(22)24/h5-6,9-13,15,21,23,32H,2-4,7-8,14,16-20H2,1H3;1-12,17H,13-16,18-19H2;1-12,17H,13-16,18-19H2;1-11,16-17,30H,12-15H2;1-12,17,30H,13-16H2;1-9,11,21H,10,12-19H2
InChIKeyMZESRQCLPMITAK-UHFFFAOYSA-N
MW3159.06 g/mol
LogP23.34
Rot. Bonds35

About [4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-cyclohexylethyl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[2-fluoro-4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone

[4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-cyclohexylethyl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[2-fluoro-4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone (PubChem CID 159714007) has the molecular formula C163H159ClF5N25O23S6 and a molecular weight of 3159.06 g/mol. Its IUPAC name is [4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-cyclohexylethyl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[2-fluoro-4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-cyclohexylethyl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[2-fluoro-4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone
PubChem CID159714007
Molecular FormulaC163H159ClF5N25O23S6
Molecular Weight3159.06 g/mol
Exact Mass3156.00
IUPAC Name[4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-cyclohexylethyl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[2-fluoro-4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)OCCC3CCCCC3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(CC2CCOC2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(C(F)(F)F)cn2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccncc2Cl)CC1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(C(=O)c2ccccn2)CC1.O=C(c1cccnc1)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1
InChIInChI=1S/C30H36N4O5S.C28H25F3N4O3S.C27H25ClN4O3S.2C26H22FN5O4S.C26H29N3O4S/c1-22-21-25(12-13-26(22)32-40(37,38)27-11-5-9-24-10-6-15-31-28(24)27)29(35)33-16-18-34(19-17-33)30(36)39-20-14-23-7-3-2-4-8-23;29-28(30,31)23-10-11-24(33-17-23)18-34-13-15-35(16-14-34)27(36)22-8-6-20(7-9-22)19-39(37,38)25-5-1-3-21-4-2-12-32-26(21)25;28-24-17-29-12-10-23(24)18-31-13-15-32(16-14-31)27(33)22-8-6-20(7-9-22)19-36(34,35)25-5-1-3-21-4-2-11-30-26(21)25;27-21-16-19(25(33)31-12-14-32(15-13-31)26(34)20-6-2-10-28-17-20)8-9-22(21)30-37(35,36)23-7-1-4-18-5-3-11-29-24(18)23;27-20-17-19(25(33)31-13-15-32(16-14-31)26(34)22-7-1-2-11-28-22)9-10-21(20)30-37(35,36)23-8-3-5-18-6-4-12-29-24(18)23;30-26(29-14-12-28(13-15-29)17-21-10-16-33-18-21)23-8-6-20(7-9-23)19-34(31,32)24-5-1-3-22-4-2-11-27-25(22)24/h5-6,9-13,15,21,23,32H,2-4,7-8,14,16-20H2,1H3;1-12,17H,13-16,18-19H2;1-12,17H,13-16,18-19H2;1-11,16-17,30H,12-15H2;1-12,17,30H,13-16H2;1-9,11,21H,10,12-19H2
InChIKeyMZESRQCLPMITAK-UHFFFAOYSA-N
XLogP23.34
TPSA580.80 Ų
H-Bond Donors3
H-Bond Acceptors36
Rotatable Bonds35
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003159.06
LogP ≤ 523.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1036

Analyze [4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-cyclohexylethyl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[2-fluoro-4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-benzylpiperazin-1-yl)-[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-fluoro-4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 157273980
N-[4-[3,5-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;ethyl (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-ethyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 157271472
N-[3-chloro-4-[(2S)-2-methyl-4-[(2,4,6-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[3,5-dimethyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;ethyl (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-ethyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-[1-(3,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 158008538
[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-(cyclopropylmethyl)-2-methylpiperazin-1-yl]methanone;[(2S)-4-[1-(3,5-difluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,3,4-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxolan-3-yl] (3S)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
CID 158135495
2-cyclohexylethyl (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[4-[(2S)-2-methyl-4-[1-(2,3,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[(2,3,4-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[(3R)-oxan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;[(3R)-oxolan-3-yl] (3R)-3-methyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;propan-2-yl (2R,6S)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
CID 158298369
[2-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[(2S)-4-[(3,5-difluorophenyl)methyl]-2-methylpiperazin-1-yl]methanone;[(2S)-4-(cyclopropylmethyl)-2-phenylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(2,4-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3S)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,5-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-[1-(2,4,6-trifluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 158835120
N-[4-[(2R)-4-[1-(4-chloro-3-fluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-(cyclohexylmethyl)-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[2,6-dimethyl-4-[(3,4,5-trifluorophenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[8-[(4-fluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 159283296
[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-2-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 159705671
[4-[(4-Chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(cyclohexylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(cyclopentylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone;[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 160157835
N-[4-[4-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2S)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(cyclohexylmethyl)-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-[1-(2,6-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;2-methylpropyl (2S,6R)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
CID 160514830
N-[4-[4-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2S)-4-[(4-fluorophenyl)methyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-chloro-4-[(2R)-2-methyl-4-(oxolan-3-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[4-(cyclohexylmethyl)-2,6-dimethylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2R)-4-[1-(2,6-difluorophenyl)ethyl]-2-methylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;2-methylpropyl (2S,6R)-2,6-dimethyl-4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
CID 160514831
[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-methylpiperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[(2S)-4-[1-(4-fluorophenyl)ethyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-phenylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(2S)-4-[(4-fluorophenyl)methyl]-2-propan-2-ylpiperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[4-[(3R)-3-methyl-4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 160796284

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-cyclohexylethyl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[2-fluoro-4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of [4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-cyclohexylethyl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[2-fluoro-4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone (CID 159714007) is [4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-cyclohexylethyl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[2-fluoro-4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-cyclohexylethyl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[2-fluoro-4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for [4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-cyclohexylethyl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[2-fluoro-4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(C(=O)OCCC3CCCCC3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(CC2CCOC2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(C(F)(F)F)cn2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccncc2Cl)CC1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(C(=O)c2ccccn2)CC1.O=C(c1cccnc1)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1.
What is the InChIKey of [4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-cyclohexylethyl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[2-fluoro-4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone?
The InChIKey is MZESRQCLPMITAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O5S.C28H25F3N4O3S.C27H25ClN4O3S.2C26H22FN5O4S.C26H29N3O4S/c1-22-21-25(12-13-26(22)32-40(37,38)27-11-5-9-24-10-6-15-31-28(24)27)29(35)33-16-18-34(19-17-33)30(36)39-20-14-23-7-3-2-4-8-23;29-28(30,31)23-10-11-24(33-17-23)18-34-13-15-35(16-14-34)27(36)22-8-6-20(7-9-22)19-39(37,38)25-5-1-3-21-4-2-12-32-26(21)25;28-24-17-29-12-10-23(24)18-31-13-15-32(16-14-31)27(33)22-8-6-20(7-9-22)19-36(34,35)25-5-1-3-21-4-2-11-30-26(21)25;27-21-16-19(25(33)31-12-14-32(15-13-31)26(34)20-6-2-10-28-17-20)8-9-22(21)30-37(35,36)23-7-1-4-18-5-3-11-29-24(18)23;27-20-17-19(25(33)31-13-15-32(16-14-31)26(34)22-7-1-2-11-28-22)9-10-21(20)30-37(35,36)23-8-3-5-18-6-4-12-29-24(18)23;30-26(29-14-12-28(13-15-29)17-21-10-16-33-18-21)23-8-6-20(7-9-23)19-34(31,32)24-5-1-3-22-4-2-11-27-25(22)24/h5-6,9-13,15,21,23,32H,2-4,7-8,14,16-20H2,1H3;1-12,17H,13-16,18-19H2;1-12,17H,13-16,18-19H2;1-11,16-17,30H,12-15H2;1-12,17,30H,13-16H2;1-9,11,21H,10,12-19H2.
What are the key properties of [4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-cyclohexylethyl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[2-fluoro-4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone?
[4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-cyclohexylethyl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[2-fluoro-4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone has a molecular weight of 3159.06 g/mol, XLogP of 23.34, 35 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-cyclohexylethyl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;N-[2-fluoro-4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-fluoro-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(oxolan-3-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 159714007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).