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

C228H211Cl7F6N24O32S8 — CID 161482756

IUPAC[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
SMILESCOc1cc(C(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3cccc(F)c3F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cc(F)ccc2O)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(F)cc2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cccc(O)c2O)CC1
InChIInChI=1S/2C29H27Cl2N3O4S.C29H27ClFN3O4S.C29H27F2N3O4S.C28H25Cl2N3O4S.C28H25F2N3O3S.C28H26FN3O4S.C28H27N3O5S/c1-38-26-17-22(29(35)34-14-12-33(13-15-34)18-20-7-10-24(30)25(31)16-20)8-9-23(26)19-39(36,37)27-6-2-4-21-5-3-11-32-28(21)27;2*1-38-26-16-21(29(35)34-14-12-33(13-15-34)18-22-9-10-24(30)17-25(22)31)7-8-23(26)19-39(36,37)27-6-2-4-20-5-3-11-32-28(20)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;29-23-15-22(27(34)24(30)16-23)17-32-11-13-33(14-12-32)28(35)21-8-6-19(7-9-21)18-38(36,37)25-5-1-3-20-4-2-10-31-26(20)25;29-24-11-10-23(25(30)17-24)18-32-13-15-33(16-14-32)28(34)22-8-6-20(7-9-22)19-37(35,36)26-5-1-3-21-4-2-12-31-27(21)26;29-24-10-11-25(33)23(17-24)18-31-13-15-32(16-14-31)28(34)22-8-6-20(7-9-22)19-37(35,36)26-5-1-3-21-4-2-12-30-27(21)26;32-24-7-1-5-23(27(24)33)18-30-14-16-31(17-15-30)28(34)22-11-9-20(10-12-22)19-37(35,36)25-8-2-4-21-6-3-13-29-26(21)25/h3*2-11,16-17H,12-15,18-19H2,1H3;2-12,17H,13-16,18-19H2,1H3;1-10,15-16,34H,11-14,17-18H2;1-12,17H,13-16,18-19H2;1-12,17,33H,13-16,18-19H2;1-13,32-33H,14-19H2
InChIKeyWEOSTSIRNHXFIN-UHFFFAOYSA-N
MW4418.03 g/mol
LogP37.60
Rot. Bonds52

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

[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone (PubChem CID 161482756) has the molecular formula C228H211Cl7F6N24O32S8 and a molecular weight of 4418.03 g/mol. Its IUPAC name is [4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
PubChem CID161482756
Molecular FormulaC228H211Cl7F6N24O32S8
Molecular Weight4418.03 g/mol
Exact Mass4411.11
IUPAC Name[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
SMILESCOc1cc(C(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3cccc(F)c3F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cc(F)ccc2O)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(F)cc2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cccc(O)c2O)CC1
InChIInChI=1S/2C29H27Cl2N3O4S.C29H27ClFN3O4S.C29H27F2N3O4S.C28H25Cl2N3O4S.C28H25F2N3O3S.C28H26FN3O4S.C28H27N3O5S/c1-38-26-17-22(29(35)34-14-12-33(13-15-34)18-20-7-10-24(30)25(31)16-20)8-9-23(26)19-39(36,37)27-6-2-4-21-5-3-11-32-28(21)27;2*1-38-26-16-21(29(35)34-14-12-33(13-15-34)18-22-9-10-24(30)17-25(22)31)7-8-23(26)19-39(36,37)27-6-2-4-20-5-3-11-32-28(20)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;29-23-15-22(27(34)24(30)16-23)17-32-11-13-33(14-12-32)28(35)21-8-6-19(7-9-21)18-38(36,37)25-5-1-3-20-4-2-10-31-26(20)25;29-24-11-10-23(25(30)17-24)18-32-13-15-33(16-14-32)28(34)22-8-6-20(7-9-22)19-37(35,36)26-5-1-3-21-4-2-12-31-27(21)26;29-24-10-11-25(33)23(17-24)18-31-13-15-32(16-14-31)28(34)22-8-6-20(7-9-22)19-37(35,36)26-5-1-3-21-4-2-12-30-27(21)26;32-24-7-1-5-23(27(24)33)18-30-14-16-31(17-15-30)28(34)22-11-9-20(10-12-22)19-37(35,36)25-8-2-4-21-6-3-13-29-26(21)25/h3*2-11,16-17H,12-15,18-19H2,1H3;2-12,17H,13-16,18-19H2,1H3;1-10,15-16,34H,11-14,17-18H2;1-12,17H,13-16,18-19H2;1-12,17,33H,13-16,18-19H2;1-13,32-33H,14-19H2
InChIKeyWEOSTSIRNHXFIN-UHFFFAOYSA-N
XLogP37.60
TPSA682.48 Ų
H-Bond Donors4
H-Bond Acceptors48
Rotatable Bonds52
Heavy Atoms305
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004418.03
LogP ≤ 537.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1048

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The IUPAC name of [4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone (CID 161482756) is [4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone.
What is the SMILES notation for [4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The canonical SMILES for [4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone is COc1cc(C(=O)N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ccc(Cl)cc3F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3cccc(F)c3F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cc(Cl)cc(Cl)c2O)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cc(F)ccc2O)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(F)cc2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cccc(O)c2O)CC1.
What is the InChIKey of [4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The InChIKey is WEOSTSIRNHXFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H27Cl2N3O4S.C29H27ClFN3O4S.C29H27F2N3O4S.C28H25Cl2N3O4S.C28H25F2N3O3S.C28H26FN3O4S.C28H27N3O5S/c1-38-26-17-22(29(35)34-14-12-33(13-15-34)18-20-7-10-24(30)25(31)16-20)8-9-23(26)19-39(36,37)27-6-2-4-21-5-3-11-32-28(21)27;2*1-38-26-16-21(29(35)34-14-12-33(13-15-34)18-22-9-10-24(30)17-25(22)31)7-8-23(26)19-39(36,37)27-6-2-4-20-5-3-11-32-28(20)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;29-23-15-22(27(34)24(30)16-23)17-32-11-13-33(14-12-32)28(35)21-8-6-19(7-9-21)18-38(36,37)25-5-1-3-20-4-2-10-31-26(20)25;29-24-11-10-23(25(30)17-24)18-32-13-15-33(16-14-32)28(34)22-8-6-20(7-9-22)19-37(35,36)26-5-1-3-21-4-2-12-31-27(21)26;29-24-10-11-25(33)23(17-24)18-31-13-15-32(16-14-31)28(34)22-8-6-20(7-9-22)19-37(35,36)26-5-1-3-21-4-2-12-30-27(21)26;32-24-7-1-5-23(27(24)33)18-30-14-16-31(17-15-30)28(34)22-11-9-20(10-12-22)19-37(35,36)25-8-2-4-21-6-3-13-29-26(21)25/h3*2-11,16-17H,12-15,18-19H2,1H3;2-12,17H,13-16,18-19H2,1H3;1-10,15-16,34H,11-14,17-18H2;1-12,17H,13-16,18-19H2;1-12,17,33H,13-16,18-19H2;1-13,32-33H,14-19H2.
What are the key properties of [4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone has a molecular weight of 4418.03 g/mol, XLogP of 37.60, 52 rotatable bonds, 4 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone is sourced from PubChem (CID 161482756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).