[4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

C231H229ClF4N28O29S8 — CID 159454164

IUPAC[4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3cccnc3OC)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ccncc3Cl)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(CS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCN(Cc2ccccn2)CC1.Cc1cc(C(=O)N2CCN(CCCc3ccccc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(CCc3ccccc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3ccccn3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C31H33N3O3S.C30H31N3O3S.C29H28FN3O4S.C29H30N4O5S.C28H27ClN4O4S.C28H24F3N3O3S.C28H28N4O4S.C28H28N4O3S/c1-24-22-27(31(35)34-20-18-33(19-21-34)17-7-10-25-8-3-2-4-9-25)14-15-28(24)23-38(36,37)29-13-5-11-26-12-6-16-32-30(26)29;1-23-21-26(30(34)33-19-17-32(18-20-33)16-14-24-7-3-2-4-8-24)12-13-27(23)22-37(35,36)28-11-5-9-25-10-6-15-31-29(25)28;1-37-26-18-23(29(34)33-15-13-32(14-16-33)19-21-5-2-8-25(30)17-21)10-11-24(26)20-38(35,36)27-9-3-6-22-7-4-12-31-28(22)27;1-37-25-18-22(29(34)33-16-14-32(15-17-33)19-23-8-5-13-31-28(23)38-2)10-11-24(25)20-39(35,36)26-9-3-6-21-7-4-12-30-27(21)26;1-37-25-16-21(28(34)33-14-12-32(13-15-33)18-22-9-11-30-17-24(22)29)7-8-23(25)19-38(35,36)26-6-2-4-20-5-3-10-31-27(20)26;29-23-7-1-5-21(26(23)31)17-33-12-14-34(15-13-33)28(35)20-9-10-22(24(30)16-20)18-38(36,37)25-8-2-4-19-6-3-11-32-27(19)25;1-36-25-18-21(20-37(34,35)26-9-4-6-22-7-5-13-30-27(22)26)10-11-24(25)28(33)32-16-14-31(15-17-32)19-23-8-2-3-12-29-23;1-21-18-23(28(33)32-16-14-31(15-17-32)19-25-8-2-3-12-29-25)10-11-24(21)20-36(34,35)26-9-4-6-22-7-5-13-30-27(22)26/h2-6,8-9,11-16,22H,7,10,17-21,23H2,1H3;2-13,15,21H,14,16-20,22H2,1H3;2-12,17-18H,13-16,19-20H2,1H3;3-13,18H,14-17,19-20H2,1-2H3;2-11,16-17H,12-15,18-19H2,1H3;1-11,16H,12-15,17-18H2;2-13,18H,14-17,19-20H2,1H3;2-13,18H,14-17,19-20H2,1H3
InChIKeyLTTGVZUYDIEFPE-UHFFFAOYSA-N
MW4229.52 g/mol
LogP33.57
Rot. Bonds56

About [4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone

[4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 159454164) has the molecular formula C231H229ClF4N28O29S8 and a molecular weight of 4229.52 g/mol. Its IUPAC name is [4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID159454164
Molecular FormulaC231H229ClF4N28O29S8
Molecular Weight4229.52 g/mol
Exact Mass4225.47
IUPAC Name[4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3cccnc3OC)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ccncc3Cl)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(CS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCN(Cc2ccccn2)CC1.Cc1cc(C(=O)N2CCN(CCCc3ccccc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(CCc3ccccc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3ccccn3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C31H33N3O3S.C30H31N3O3S.C29H28FN3O4S.C29H30N4O5S.C28H27ClN4O4S.C28H24F3N3O3S.C28H28N4O4S.C28H28N4O3S/c1-24-22-27(31(35)34-20-18-33(19-21-34)17-7-10-25-8-3-2-4-9-25)14-15-28(24)23-38(36,37)29-13-5-11-26-12-6-16-32-30(26)29;1-23-21-26(30(34)33-19-17-32(18-20-33)16-14-24-7-3-2-4-8-24)12-13-27(23)22-37(35,36)28-11-5-9-25-10-6-15-31-29(25)28;1-37-26-18-23(29(34)33-15-13-32(14-16-33)19-21-5-2-8-25(30)17-21)10-11-24(26)20-38(35,36)27-9-3-6-22-7-4-12-31-28(22)27;1-37-25-18-22(29(34)33-16-14-32(15-17-33)19-23-8-5-13-31-28(23)38-2)10-11-24(25)20-39(35,36)26-9-3-6-21-7-4-12-30-27(21)26;1-37-25-16-21(28(34)33-14-12-32(13-15-33)18-22-9-11-30-17-24(22)29)7-8-23(25)19-38(35,36)26-6-2-4-20-5-3-10-31-27(20)26;29-23-7-1-5-21(26(23)31)17-33-12-14-34(15-13-33)28(35)20-9-10-22(24(30)16-20)18-38(36,37)25-8-2-4-19-6-3-11-32-27(19)25;1-36-25-18-21(20-37(34,35)26-9-4-6-22-7-5-13-30-27(22)26)10-11-24(25)28(33)32-16-14-31(15-17-32)19-23-8-2-3-12-29-23;1-21-18-23(28(33)32-16-14-31(15-17-32)19-25-8-2-3-12-29-25)10-11-24(21)20-36(34,35)26-9-4-6-22-7-5-13-30-27(22)26/h2-6,8-9,11-16,22H,7,10,17-21,23H2,1H3;2-13,15,21H,14,16-20,22H2,1H3;2-12,17-18H,13-16,19-20H2,1H3;3-13,18H,14-17,19-20H2,1-2H3;2-11,16-17H,12-15,18-19H2,1H3;1-11,16H,12-15,17-18H2;2-13,18H,14-17,19-20H2,1H3;2-13,18H,14-17,19-20H2,1H3
InChIKeyLTTGVZUYDIEFPE-UHFFFAOYSA-N
XLogP33.57
TPSA662.35 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds56
Heavy Atoms301
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004229.52
LogP ≤ 533.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Analyze [4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[2-Methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone
CID 59634811
[2-Methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone
CID 59634824
[4-[(5-Fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59634845
[4-[(3-Chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59634896
[4-[(3-Fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59634906
[4-[(5-Fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59635024
[3-Methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone
CID 59635033
[4-[(3-Chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59635115
[4-[(4-Chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59635153
[4-[(4-Chloro-2-fluorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59635163
[4-[(5-Fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59635205
[4-[(3-Fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59635243

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone (CID 159454164) is [4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is COc1cc(C(=O)N2CCN(Cc3cccc(F)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3cccnc3OC)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ccncc3Cl)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(CS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCN(Cc2ccccn2)CC1.Cc1cc(C(=O)N2CCN(CCCc3ccccc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(CCc3ccccc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3ccccn3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(Cc2cccc(F)c2F)CC1.
What is the InChIKey of [4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is LTTGVZUYDIEFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O3S.C30H31N3O3S.C29H28FN3O4S.C29H30N4O5S.C28H27ClN4O4S.C28H24F3N3O3S.C28H28N4O4S.C28H28N4O3S/c1-24-22-27(31(35)34-20-18-33(19-21-34)17-7-10-25-8-3-2-4-9-25)14-15-28(24)23-38(36,37)29-13-5-11-26-12-6-16-32-30(26)29;1-23-21-26(30(34)33-19-17-32(18-20-33)16-14-24-7-3-2-4-8-24)12-13-27(23)22-37(35,36)28-11-5-9-25-10-6-15-31-29(25)28;1-37-26-18-23(29(34)33-15-13-32(14-16-33)19-21-5-2-8-25(30)17-21)10-11-24(26)20-38(35,36)27-9-3-6-22-7-4-12-31-28(22)27;1-37-25-18-22(29(34)33-16-14-32(15-17-33)19-23-8-5-13-31-28(23)38-2)10-11-24(25)20-39(35,36)26-9-3-6-21-7-4-12-30-27(21)26;1-37-25-16-21(28(34)33-14-12-32(13-15-33)18-22-9-11-30-17-24(22)29)7-8-23(25)19-38(35,36)26-6-2-4-20-5-3-10-31-27(20)26;29-23-7-1-5-21(26(23)31)17-33-12-14-34(15-13-33)28(35)20-9-10-22(24(30)16-20)18-38(36,37)25-8-2-4-19-6-3-11-32-27(19)25;1-36-25-18-21(20-37(34,35)26-9-4-6-22-7-5-13-30-27(22)26)10-11-24(25)28(33)32-16-14-31(15-17-32)19-23-8-2-3-12-29-23;1-21-18-23(28(33)32-16-14-31(15-17-32)19-25-8-2-3-12-29-25)10-11-24(21)20-36(34,35)26-9-4-6-22-7-5-13-30-27(22)26/h2-6,8-9,11-16,22H,7,10,17-21,23H2,1H3;2-13,15,21H,14,16-20,22H2,1H3;2-12,17-18H,13-16,19-20H2,1H3;3-13,18H,14-17,19-20H2,1-2H3;2-11,16-17H,12-15,18-19H2,1H3;1-11,16H,12-15,17-18H2;2-13,18H,14-17,19-20H2,1H3;2-13,18H,14-17,19-20H2,1H3.
What are the key properties of [4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone?
[4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 4229.52 g/mol, XLogP of 33.57, 56 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-phenylpropyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 159454164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).