[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone

C231H228Cl3F5N24O33S8 — CID 158223393

IUPAC[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(CC3CCOC3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c(C)c1.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3OC)CC2)c(F)c1.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3OC)CC2)cc1F.COc1cccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1Cl.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(Cl)c(F)c2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/2C30H30FN3O5S.C30H31N3O4S.C29H28ClN3O4S.C29H28FN3O4S.2C28H25ClFN3O3S.C27H31N3O5S/c1-38-24-10-9-23(26(31)18-24)19-33-13-15-34(16-14-33)30(35)25-11-8-21(17-27(25)39-2)20-40(36,37)28-7-3-5-22-6-4-12-32-29(22)28;1-38-26-11-9-21(17-25(26)31)19-33-13-15-34(16-14-33)30(35)24-10-8-22(18-27(24)39-2)20-40(36,37)28-7-3-5-23-6-4-12-32-29(23)28;1-22-19-27(37-2)13-12-26(22)20-32-15-17-33(18-16-32)30(34)25-10-8-23(9-11-25)21-38(35,36)28-7-3-5-24-6-4-14-31-29(24)28;1-37-25-8-2-6-24(27(25)30)19-32-15-17-33(18-16-32)29(34)23-12-10-21(11-13-23)20-38(35,36)26-9-3-5-22-7-4-14-31-28(22)26;1-37-26-18-23(29(34)33-16-14-32(15-17-33)19-21-7-11-25(30)12-8-21)9-10-24(26)20-38(35,36)27-6-2-4-22-5-3-13-31-28(22)27;29-24-17-21(8-11-25(24)30)18-32-13-15-33(16-14-32)28(34)23-9-6-20(7-10-23)19-37(35,36)26-5-1-3-22-4-2-12-31-27(22)26;29-24-11-8-21(17-25(24)30)18-32-13-15-33(16-14-32)28(34)23-9-6-20(7-10-23)19-37(35,36)26-5-1-3-22-4-2-12-31-27(22)26;1-34-24-16-22(27(31)30-13-11-29(12-14-30)17-20-9-15-35-18-20)7-8-23(24)19-36(32,33)25-6-2-4-21-5-3-10-28-26(21)25/h2*3-12,17-18H,13-16,19-20H2,1-2H3;3-14,19H,15-18,20-21H2,1-2H3;2-14H,15-20H2,1H3;2-13,18H,14-17,19-20H2,1H3;2*1-12,17H,13-16,18-19H2;2-8,10,16,20H,9,11-15,17-19H2,1H3
InChIKeyGDNALNRGBZFXID-UHFFFAOYSA-N
MW4326.38 g/mol
LogP35.20
Rot. Bonds56

About [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone

[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 158223393) has the molecular formula C231H228Cl3F5N24O33S8 and a molecular weight of 4326.38 g/mol. Its IUPAC name is [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID158223393
Molecular FormulaC231H228Cl3F5N24O33S8
Molecular Weight4326.38 g/mol
Exact Mass4321.37
IUPAC Name[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(CC3CCOC3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c(C)c1.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3OC)CC2)c(F)c1.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3OC)CC2)cc1F.COc1cccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1Cl.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(Cl)c(F)c2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/2C30H30FN3O5S.C30H31N3O4S.C29H28ClN3O4S.C29H28FN3O4S.2C28H25ClFN3O3S.C27H31N3O5S/c1-38-24-10-9-23(26(31)18-24)19-33-13-15-34(16-14-33)30(35)25-11-8-21(17-27(25)39-2)20-40(36,37)28-7-3-5-22-6-4-12-32-29(22)28;1-38-26-11-9-21(17-25(26)31)19-33-13-15-34(16-14-33)30(35)24-10-8-22(18-27(24)39-2)20-40(36,37)28-7-3-5-23-6-4-12-32-29(23)28;1-22-19-27(37-2)13-12-26(22)20-32-15-17-33(18-16-32)30(34)25-10-8-23(9-11-25)21-38(35,36)28-7-3-5-24-6-4-14-31-29(24)28;1-37-25-8-2-6-24(27(25)30)19-32-15-17-33(18-16-32)29(34)23-12-10-21(11-13-23)20-38(35,36)26-9-3-5-22-7-4-14-31-28(22)26;1-37-26-18-23(29(34)33-16-14-32(15-17-33)19-21-7-11-25(30)12-8-21)9-10-24(26)20-38(35,36)27-6-2-4-22-5-3-13-31-28(22)27;29-24-17-21(8-11-25(24)30)18-32-13-15-33(16-14-32)28(34)23-9-6-20(7-10-23)19-37(35,36)26-5-1-3-22-4-2-12-31-27(22)26;29-24-11-8-21(17-25(24)30)18-32-13-15-33(16-14-32)28(34)23-9-6-20(7-10-23)19-37(35,36)26-5-1-3-22-4-2-12-31-27(22)26;1-34-24-16-22(27(31)30-13-11-29(12-14-30)17-20-9-15-35-18-20)7-8-23(24)19-36(32,33)25-6-2-4-21-5-3-10-28-26(21)25/h2*3-12,17-18H,13-16,19-20H2,1-2H3;3-14,19H,15-18,20-21H2,1-2H3;2-14H,15-20H2,1H3;2-13,18H,14-17,19-20H2,1H3;2*1-12,17H,13-16,18-19H2;2-8,10,16,20H,9,11-15,17-19H2,1H3
InChIKeyGDNALNRGBZFXID-UHFFFAOYSA-N
XLogP35.20
TPSA647.71 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds56
Heavy Atoms304
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004326.38
LogP ≤ 535.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Analyze [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone (CID 158223393) is [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone is COc1cc(C(=O)N2CCN(CC3CCOC3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c(C)c1.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3OC)CC2)c(F)c1.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3OC)CC2)cc1F.COc1cccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1Cl.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(Cl)c(F)c2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is GDNALNRGBZFXID-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H30FN3O5S.C30H31N3O4S.C29H28ClN3O4S.C29H28FN3O4S.2C28H25ClFN3O3S.C27H31N3O5S/c1-38-24-10-9-23(26(31)18-24)19-33-13-15-34(16-14-33)30(35)25-11-8-21(17-27(25)39-2)20-40(36,37)28-7-3-5-22-6-4-12-32-29(22)28;1-38-26-11-9-21(17-25(26)31)19-33-13-15-34(16-14-33)30(35)24-10-8-22(18-27(24)39-2)20-40(36,37)28-7-3-5-23-6-4-12-32-29(23)28;1-22-19-27(37-2)13-12-26(22)20-32-15-17-33(18-16-32)30(34)25-10-8-23(9-11-25)21-38(35,36)28-7-3-5-24-6-4-14-31-29(24)28;1-37-25-8-2-6-24(27(25)30)19-32-15-17-33(18-16-32)29(34)23-12-10-21(11-13-23)20-38(35,36)26-9-3-5-22-7-4-14-31-28(22)26;1-37-26-18-23(29(34)33-16-14-32(15-17-33)19-21-7-11-25(30)12-8-21)9-10-24(26)20-38(35,36)27-6-2-4-22-5-3-13-31-28(22)27;29-24-17-21(8-11-25(24)30)18-32-13-15-33(16-14-32)28(34)23-9-6-20(7-10-23)19-37(35,36)26-5-1-3-22-4-2-12-31-27(22)26;29-24-11-8-21(17-25(24)30)18-32-13-15-33(16-14-32)28(34)23-9-6-20(7-10-23)19-37(35,36)26-5-1-3-22-4-2-12-31-27(22)26;1-34-24-16-22(27(31)30-13-11-29(12-14-30)17-20-9-15-35-18-20)7-8-23(24)19-36(32,33)25-6-2-4-21-5-3-10-28-26(21)25/h2*3-12,17-18H,13-16,19-20H2,1-2H3;3-14,19H,15-18,20-21H2,1-2H3;2-14H,15-20H2,1H3;2-13,18H,14-17,19-20H2,1H3;2*1-12,17H,13-16,18-19H2;2-8,10,16,20H,9,11-15,17-19H2,1H3.
What are the key properties of [4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone?
[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 4326.38 g/mol, XLogP of 35.20, 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-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-3-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 158223393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).