[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone

C226H207Cl7F8N26O28S8 — CID 158658163

IUPAC[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
SMILESCOc1cc(CS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3OC)CC2)c(OC)c1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(Cc2cc(F)cc(F)c2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(Cc2ccc(F)c(Cl)c2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(Cc2cccc(Cl)c2Cl)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(Cl)nc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cccnc2Cl)CC1
InChIInChI=1S/C31H33N3O6S.C29H28FN3O4S.2C28H24Cl2FN3O3S.C28H24ClF2N3O3S.C28H24F3N3O3S.2C27H25ClN4O3S/c1-38-25-11-10-24(27(19-25)39-2)20-33-14-16-34(17-15-33)31(35)26-12-9-22(18-28(26)40-3)21-41(36,37)29-8-4-6-23-7-5-13-32-30(23)29;1-37-26-18-22(20-38(35,36)27-6-2-4-23-5-3-13-31-28(23)27)9-12-25(26)29(34)33-16-14-32(15-17-33)19-21-7-10-24(30)11-8-21;29-23-7-1-5-21(26(23)30)17-33-12-14-34(15-13-33)28(35)20-9-10-22(24(31)16-20)18-38(36,37)25-8-2-4-19-6-3-11-32-27(19)25;29-23-9-6-19(15-24(23)30)17-33-11-13-34(14-12-33)28(35)21-7-8-22(25(31)16-21)18-38(36,37)26-5-1-3-20-4-2-10-32-27(20)26;29-23-15-19(6-9-24(23)30)17-33-11-13-34(14-12-33)28(35)21-7-8-22(25(31)16-21)18-38(36,37)26-5-1-3-20-4-2-10-32-27(20)26;29-23-13-19(14-24(30)16-23)17-33-9-11-34(12-10-33)28(35)21-6-7-22(25(31)15-21)18-38(36,37)26-5-1-3-20-4-2-8-32-27(20)26;28-26-23(6-3-13-30-26)18-31-14-16-32(17-15-31)27(33)22-10-8-20(9-11-22)19-36(34,35)24-7-1-4-21-5-2-12-29-25(21)24;28-25-11-8-21(17-30-25)18-31-13-15-32(16-14-31)27(33)23-9-6-20(7-10-23)19-36(34,35)24-5-1-3-22-4-2-12-29-26(22)24/h4-13,18-19H,14-17,20-21H2,1-3H3;2-13,18H,14-17,19-20H2,1H3;1-11,16H,12-15,17-18H2;2*1-10,15-16H,11-14,17-18H2;1-8,13-16H,9-12,17-18H2;1-13H,14-19H2;1-12,17H,13-16,18-19H2
InChIKeyICKJOHSJRHBLAP-UHFFFAOYSA-N
MW4391.99 g/mol
LogP37.84
Rot. Bonds52

About [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone

[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone (PubChem CID 158658163) has the molecular formula C226H207Cl7F8N26O28S8 and a molecular weight of 4391.99 g/mol. Its IUPAC name is [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
PubChem CID158658163
Molecular FormulaC226H207Cl7F8N26O28S8
Molecular Weight4391.99 g/mol
Exact Mass4385.10
IUPAC Name[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
SMILESCOc1cc(CS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3OC)CC2)c(OC)c1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(Cc2cc(F)cc(F)c2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(Cc2ccc(F)c(Cl)c2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(Cc2cccc(Cl)c2Cl)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(Cl)nc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cccnc2Cl)CC1
InChIInChI=1S/C31H33N3O6S.C29H28FN3O4S.2C28H24Cl2FN3O3S.C28H24ClF2N3O3S.C28H24F3N3O3S.2C27H25ClN4O3S/c1-38-25-11-10-24(27(19-25)39-2)20-33-14-16-34(17-15-33)31(35)26-12-9-22(18-28(26)40-3)21-41(36,37)29-8-4-6-23-7-5-13-32-30(23)29;1-37-26-18-22(20-38(35,36)27-6-2-4-23-5-3-13-31-28(23)27)9-12-25(26)29(34)33-16-14-32(15-17-33)19-21-7-10-24(30)11-8-21;29-23-7-1-5-21(26(23)30)17-33-12-14-34(15-13-33)28(35)20-9-10-22(24(31)16-20)18-38(36,37)25-8-2-4-19-6-3-11-32-27(19)25;29-23-9-6-19(15-24(23)30)17-33-11-13-34(14-12-33)28(35)21-7-8-22(25(31)16-21)18-38(36,37)26-5-1-3-20-4-2-10-32-27(20)26;29-23-15-19(6-9-24(23)30)17-33-11-13-34(14-12-33)28(35)21-7-8-22(25(31)16-21)18-38(36,37)26-5-1-3-20-4-2-10-32-27(20)26;29-23-13-19(14-24(30)16-23)17-33-9-11-34(12-10-33)28(35)21-6-7-22(25(31)15-21)18-38(36,37)26-5-1-3-20-4-2-8-32-27(20)26;28-26-23(6-3-13-30-26)18-31-14-16-32(17-15-31)27(33)22-10-8-20(9-11-22)19-36(34,35)24-7-1-4-21-5-2-12-29-25(21)24;28-25-11-8-21(17-30-25)18-31-13-15-32(16-14-31)27(33)23-9-6-20(7-10-23)19-36(34,35)24-5-1-3-22-4-2-12-29-26(22)24/h4-13,18-19H,14-17,20-21H2,1-3H3;2-13,18H,14-17,19-20H2,1H3;1-11,16H,12-15,17-18H2;2*1-10,15-16H,11-14,17-18H2;1-8,13-16H,9-12,17-18H2;1-13H,14-19H2;1-12,17H,13-16,18-19H2
InChIKeyICKJOHSJRHBLAP-UHFFFAOYSA-N
XLogP37.84
TPSA627.34 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds52
Heavy Atoms303
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004391.99
LogP ≤ 537.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Analyze [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The IUPAC name of [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone (CID 158658163) is [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone.
What is the SMILES notation for [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The canonical SMILES for [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone is COc1cc(CS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CCN(Cc2ccc(F)cc2)CC1.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3OC)CC2)c(OC)c1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(Cc2cc(F)cc(F)c2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(Cc2ccc(F)c(Cl)c2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CCN(Cc2cccc(Cl)c2Cl)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(Cl)nc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cccnc2Cl)CC1.
What is the InChIKey of [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The InChIKey is ICKJOHSJRHBLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N3O6S.C29H28FN3O4S.2C28H24Cl2FN3O3S.C28H24ClF2N3O3S.C28H24F3N3O3S.2C27H25ClN4O3S/c1-38-25-11-10-24(27(19-25)39-2)20-33-14-16-34(17-15-33)31(35)26-12-9-22(18-28(26)40-3)21-41(36,37)29-8-4-6-23-7-5-13-32-30(23)29;1-37-26-18-22(20-38(35,36)27-6-2-4-23-5-3-13-31-28(23)27)9-12-25(26)29(34)33-16-14-32(15-17-33)19-21-7-10-24(30)11-8-21;29-23-7-1-5-21(26(23)30)17-33-12-14-34(15-13-33)28(35)20-9-10-22(24(31)16-20)18-38(36,37)25-8-2-4-19-6-3-11-32-27(19)25;29-23-9-6-19(15-24(23)30)17-33-11-13-34(14-12-33)28(35)21-7-8-22(25(31)16-21)18-38(36,37)26-5-1-3-20-4-2-10-32-27(20)26;29-23-15-19(6-9-24(23)30)17-33-11-13-34(14-12-33)28(35)21-7-8-22(25(31)16-21)18-38(36,37)26-5-1-3-20-4-2-10-32-27(20)26;29-23-13-19(14-24(30)16-23)17-33-9-11-34(12-10-33)28(35)21-6-7-22(25(31)15-21)18-38(36,37)26-5-1-3-20-4-2-8-32-27(20)26;28-26-23(6-3-13-30-26)18-31-14-16-32(17-15-31)27(33)22-10-8-20(9-11-22)19-36(34,35)24-7-1-4-21-5-2-12-29-25(21)24;28-25-11-8-21(17-30-25)18-31-13-15-32(16-14-31)27(33)23-9-6-20(7-10-23)19-36(34,35)24-5-1-3-22-4-2-12-29-26(22)24/h4-13,18-19H,14-17,20-21H2,1-3H3;2-13,18H,14-17,19-20H2,1H3;1-11,16H,12-15,17-18H2;2*1-10,15-16H,11-14,17-18H2;1-8,13-16H,9-12,17-18H2;1-13H,14-19H2;1-12,17H,13-16,18-19H2.
What are the key properties of [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone has a molecular weight of 4391.99 g/mol, XLogP of 37.84, 52 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone is sourced from PubChem (CID 158658163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).