[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

C229H224ClF5N28O33S8 — CID 158546174

IUPAC[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3cncc(Cl)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ncccc3F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)c(OC)c3)CC2)cc1.COc1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)CC1.COc1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1.COc1cccnc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)CC1.COc1ncccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)CC1
InChIInChI=1S/C30H28F3N3O4S.C30H31N3O5S.C29H29N3O4S.C28H27ClN4O4S.C28H27FN4O4S.C28H26FN3O4S.2C28H28N4O4S/c1-40-26-18-23(9-10-24(26)20-41(38,39)27-6-2-4-22-5-3-13-34-28(22)27)29(37)36-16-14-35(15-17-36)19-21-7-11-25(12-8-21)30(31,32)33;1-37-26-12-8-22(9-13-26)20-32-15-17-33(18-16-32)30(34)24-10-11-25(27(19-24)38-2)21-39(35,36)28-7-3-5-23-6-4-14-31-29(23)28;1-21-19-23(29(33)32-17-15-31(16-18-32)25-9-3-4-10-26(25)36-2)12-13-24(21)20-37(34,35)27-11-5-7-22-8-6-14-30-28(22)27;1-37-25-15-22(28(34)33-12-10-32(11-13-33)18-20-14-24(29)17-30-16-20)7-8-23(25)19-38(35,36)26-6-2-4-21-5-3-9-31-27(21)26;1-37-25-17-21(28(34)33-15-13-32(14-16-33)18-24-23(29)7-4-11-30-24)9-10-22(25)19-38(35,36)26-8-2-5-20-6-3-12-31-27(20)26;1-36-25-9-3-2-8-24(25)31-14-16-32(17-15-31)28(33)21-11-12-22(23(29)18-21)19-37(34,35)26-10-4-6-20-7-5-13-30-27(20)26;1-20-18-22(28(33)32-16-14-31(15-17-32)27-24(36-2)8-5-13-30-27)10-11-23(20)19-37(34,35)25-9-3-6-21-7-4-12-29-26(21)25;1-20-18-22(28(33)32-16-14-31(15-17-32)24-8-5-13-30-27(24)36-2)10-11-23(20)19-37(34,35)25-9-3-6-21-7-4-12-29-26(21)25/h2-13,18H,14-17,19-20H2,1H3;3-14,19H,15-18,20-21H2,1-2H3;3-14,19H,15-18,20H2,1-2H3;2-9,14-17H,10-13,18-19H2,1H3;2-12,17H,13-16,18-19H2,1H3;2-13,18H,14-17,19H2,1H3;2*3-13,18H,14-17,19H2,1-2H3
InChIKeyHPDGIXCWEXMRMH-UHFFFAOYSA-N
MW4283.45 g/mol
LogP33.88
Rot. Bonds53

About [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 158546174) has the molecular formula C229H224ClF5N28O33S8 and a molecular weight of 4283.45 g/mol. Its IUPAC name is [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
PubChem CID158546174
Molecular FormulaC229H224ClF5N28O33S8
Molecular Weight4283.45 g/mol
Exact Mass4279.41
IUPAC Name[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3cncc(Cl)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ncccc3F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)c(OC)c3)CC2)cc1.COc1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)CC1.COc1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1.COc1cccnc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)CC1.COc1ncccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)CC1
InChIInChI=1S/C30H28F3N3O4S.C30H31N3O5S.C29H29N3O4S.C28H27ClN4O4S.C28H27FN4O4S.C28H26FN3O4S.2C28H28N4O4S/c1-40-26-18-23(9-10-24(26)20-41(38,39)27-6-2-4-22-5-3-13-34-28(22)27)29(37)36-16-14-35(15-17-36)19-21-7-11-25(12-8-21)30(31,32)33;1-37-26-12-8-22(9-13-26)20-32-15-17-33(18-16-32)30(34)24-10-11-25(27(19-24)38-2)21-39(35,36)28-7-3-5-23-6-4-14-31-29(23)28;1-21-19-23(29(33)32-17-15-31(16-18-32)25-9-3-4-10-26(25)36-2)12-13-24(21)20-37(34,35)27-11-5-7-22-8-6-14-30-28(22)27;1-37-25-15-22(28(34)33-12-10-32(11-13-33)18-20-14-24(29)17-30-16-20)7-8-23(25)19-38(35,36)26-6-2-4-21-5-3-9-31-27(21)26;1-37-25-17-21(28(34)33-15-13-32(14-16-33)18-24-23(29)7-4-11-30-24)9-10-22(25)19-38(35,36)26-8-2-5-20-6-3-12-31-27(20)26;1-36-25-9-3-2-8-24(25)31-14-16-32(17-15-31)28(33)21-11-12-22(23(29)18-21)19-37(34,35)26-10-4-6-20-7-5-13-30-27(20)26;1-20-18-22(28(33)32-16-14-31(15-17-32)27-24(36-2)8-5-13-30-27)10-11-23(20)19-37(34,35)25-9-3-6-21-7-4-12-29-26(21)25;1-20-18-22(28(33)32-16-14-31(15-17-32)24-8-5-13-30-27(24)36-2)10-11-23(20)19-37(34,35)25-9-3-6-21-7-4-12-29-26(21)25/h2-13,18H,14-17,19-20H2,1H3;3-14,19H,15-18,20-21H2,1-2H3;3-14,19H,15-18,20H2,1-2H3;2-9,14-17H,10-13,18-19H2,1H3;2-12,17H,13-16,18-19H2,1H3;2-13,18H,14-17,19H2,1H3;2*3-13,18H,14-17,19H2,1-2H3
InChIKeyHPDGIXCWEXMRMH-UHFFFAOYSA-N
XLogP33.88
TPSA699.27 Ų
H-Bond Donors
H-Bond Acceptors53
Rotatable Bonds53
Heavy Atoms304
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004283.45
LogP ≤ 533.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1053

Analyze [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (CID 158546174) is [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is COc1cc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3cncc(Cl)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ncccc3F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)c(OC)c3)CC2)cc1.COc1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)CC1.COc1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1.COc1cccnc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)CC1.COc1ncccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)CC1.
What is the InChIKey of [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The InChIKey is HPDGIXCWEXMRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N3O4S.C30H31N3O5S.C29H29N3O4S.C28H27ClN4O4S.C28H27FN4O4S.C28H26FN3O4S.2C28H28N4O4S/c1-40-26-18-23(9-10-24(26)20-41(38,39)27-6-2-4-22-5-3-13-34-28(22)27)29(37)36-16-14-35(15-17-36)19-21-7-11-25(12-8-21)30(31,32)33;1-37-26-12-8-22(9-13-26)20-32-15-17-33(18-16-32)30(34)24-10-11-25(27(19-24)38-2)21-39(35,36)28-7-3-5-23-6-4-14-31-29(23)28;1-21-19-23(29(33)32-17-15-31(16-18-32)25-9-3-4-10-26(25)36-2)12-13-24(21)20-37(34,35)27-11-5-7-22-8-6-14-30-28(22)27;1-37-25-15-22(28(34)33-12-10-32(11-13-33)18-20-14-24(29)17-30-16-20)7-8-23(25)19-38(35,36)26-6-2-4-21-5-3-9-31-27(21)26;1-37-25-17-21(28(34)33-15-13-32(14-16-33)18-24-23(29)7-4-11-30-24)9-10-22(25)19-38(35,36)26-8-2-5-20-6-3-12-31-27(20)26;1-36-25-9-3-2-8-24(25)31-14-16-32(17-15-31)28(33)21-11-12-22(23(29)18-21)19-37(34,35)26-10-4-6-20-7-5-13-30-27(20)26;1-20-18-22(28(33)32-16-14-31(15-17-32)27-24(36-2)8-5-13-30-27)10-11-23(20)19-37(34,35)25-9-3-6-21-7-4-12-29-26(21)25;1-20-18-22(28(33)32-16-14-31(15-17-32)24-8-5-13-30-27(24)36-2)10-11-23(20)19-37(34,35)25-9-3-6-21-7-4-12-29-26(21)25/h2-13,18H,14-17,19-20H2,1H3;3-14,19H,15-18,20-21H2,1-2H3;3-14,19H,15-18,20H2,1-2H3;2-9,14-17H,10-13,18-19H2,1H3;2-12,17H,13-16,18-19H2,1H3;2-13,18H,14-17,19H2,1H3;2*3-13,18H,14-17,19H2,1-2H3.
What are the key properties of [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 4283.45 g/mol, XLogP of 33.88, 53 rotatable bonds, 0 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 158546174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).