[4-(cyclopentylmethyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;methyl 2-methoxy-5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate

C172H174FN21O25S6 — CID 158344931

IUPAC[4-(cyclopentylmethyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;methyl 2-methoxy-5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.COC(=O)c1cc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cnc1OC.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)c(C)c3)CC2)cc1.COc1ccncc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.Cc1cc(C(=O)N2CCN(CC3CCCC3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C30H31N3O4S.C29H28FN3O3S.C29H28N4O6S.C29H28N4O5S.C28H33N3O3S.C27H26N4O4S/c1-22-19-25(30(34)33-17-15-32(16-18-33)20-23-8-12-27(37-2)13-9-23)10-11-26(22)21-38(35,36)28-7-3-5-24-6-4-14-31-29(24)28;1-21-18-24(29(34)33-16-14-32(15-17-33)19-22-7-11-26(30)12-8-22)9-10-25(21)20-37(35,36)27-6-2-4-23-5-3-13-31-28(23)27;1-38-27-24(29(35)39-2)17-23(18-31-27)32-13-15-33(16-14-32)28(34)22-10-8-20(9-11-22)19-40(36,37)25-7-3-5-21-6-4-12-30-26(21)25;1-2-38-29(35)24-17-25(19-30-18-24)32-13-15-33(16-14-32)28(34)23-10-8-21(9-11-23)20-39(36,37)26-7-3-5-22-6-4-12-31-27(22)26;1-21-18-24(28(32)31-16-14-30(15-17-31)19-22-6-2-3-7-22)11-12-25(21)20-35(33,34)26-10-4-8-23-9-5-13-29-27(23)26;1-35-24-11-13-28-18-23(24)30-14-16-31(17-15-30)27(32)22-9-7-20(8-10-22)19-36(33,34)25-6-2-4-21-5-3-12-29-26(21)25/h3-14,19H,15-18,20-21H2,1-2H3;2-13,18H,14-17,19-20H2,1H3;3-12,17-18H,13-16,19H2,1-2H3;3-12,17-19H,2,13-16,20H2,1H3;4-5,8-13,18,22H,2-3,6-7,14-17,19-20H2,1H3;2-13,18H,14-17,19H2,1H3
InChIKeyGRPOXGRDKXSIIP-UHFFFAOYSA-N
MW3146.81 g/mol
LogP24.24
Rot. Bonds39

About [4-(cyclopentylmethyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;methyl 2-methoxy-5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate

[4-(cyclopentylmethyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;methyl 2-methoxy-5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate (PubChem CID 158344931) has the molecular formula C172H174FN21O25S6 and a molecular weight of 3146.81 g/mol. Its IUPAC name is [4-(cyclopentylmethyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;methyl 2-methoxy-5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Name[4-(cyclopentylmethyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;methyl 2-methoxy-5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate
PubChem CID158344931
Molecular FormulaC172H174FN21O25S6
Molecular Weight3146.81 g/mol
Exact Mass3144.13
IUPAC Name[4-(cyclopentylmethyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;methyl 2-methoxy-5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cncc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.COC(=O)c1cc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cnc1OC.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)c(C)c3)CC2)cc1.COc1ccncc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.Cc1cc(C(=O)N2CCN(CC3CCCC3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C30H31N3O4S.C29H28FN3O3S.C29H28N4O6S.C29H28N4O5S.C28H33N3O3S.C27H26N4O4S/c1-22-19-25(30(34)33-17-15-32(16-18-33)20-23-8-12-27(37-2)13-9-23)10-11-26(22)21-38(35,36)28-7-3-5-24-6-4-14-31-29(24)28;1-21-18-24(29(34)33-16-14-32(15-17-33)19-22-7-11-26(30)12-8-22)9-10-25(21)20-37(35,36)27-6-2-4-23-5-3-13-31-28(23)27;1-38-27-24(29(35)39-2)17-23(18-31-27)32-13-15-33(16-14-32)28(34)22-10-8-20(9-11-22)19-40(36,37)25-7-3-5-21-6-4-12-30-26(21)25;1-2-38-29(35)24-17-25(19-30-18-24)32-13-15-33(16-14-32)28(34)23-10-8-21(9-11-23)20-39(36,37)26-7-3-5-22-6-4-12-31-27(22)26;1-21-18-24(28(32)31-16-14-30(15-17-31)19-22-6-2-3-7-22)11-12-25(21)20-35(33,34)26-10-4-8-23-9-5-13-29-27(23)26;1-35-24-11-13-28-18-23(24)30-14-16-31(17-15-30)27(32)22-9-7-20(8-10-22)19-36(33,34)25-6-2-4-21-5-3-12-29-26(21)25/h3-14,19H,15-18,20-21H2,1-2H3;2-13,18H,14-17,19-20H2,1H3;3-12,17-18H,13-16,19H2,1-2H3;3-12,17-19H,2,13-16,20H2,1H3;4-5,8-13,18,22H,2-3,6-7,14-17,19-20H2,1H3;2-13,18H,14-17,19H2,1H3
InChIKeyGRPOXGRDKXSIIP-UHFFFAOYSA-N
XLogP24.24
TPSA542.44 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds39
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003146.81
LogP ≤ 524.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Analyze [4-(cyclopentylmethyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;methyl 2-methoxy-5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Methyl 2-methoxy-5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate
CID 59634941
2-(4-Fluorophenyl)-2-methyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-methyl-2-phenyl-1-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]propan-1-one;[4-(naphthalene-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 157161025
[4-[(4-butylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;cyclohexyl-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methanone;[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-(2-methoxyphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide;N-(3-methoxyphenyl)-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide;N-phenyl-4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxamide
CID 157183710
Azetidin-3-yl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;cyclohexyl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;cyclopentyl 4-[3-methyl-4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 158294442
(3-Benzylazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-benzyl-3-hydroxyazetidin-1-yl)-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[(3-methoxy-2-pyridinyl)methyl]azetidin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 158976749
[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone;N-[3-methoxy-4-[4-[2-(4-methylphenyl)acetyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-methoxy-4-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[3-methoxy-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(1-phenylethyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-phenylpropyl)piperazin-1-yl]methanone;[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 160738195
[4-[(2,6-Difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-dimethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[3-(2-hydroxyethoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 161360701
[4-(2,5-Difluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 3-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-(2-fluorophenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-propan-2-yloxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 161381623

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylmethyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;methyl 2-methoxy-5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate?
The IUPAC name of [4-(cyclopentylmethyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;methyl 2-methoxy-5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate (CID 158344931) is [4-(cyclopentylmethyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;methyl 2-methoxy-5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for [4-(cyclopentylmethyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;methyl 2-methoxy-5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for [4-(cyclopentylmethyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;methyl 2-methoxy-5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate is CCOC(=O)c1cncc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.COC(=O)c1cc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cnc1OC.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)c(C)c3)CC2)cc1.COc1ccncc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.Cc1cc(C(=O)N2CCN(CC3CCCC3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of [4-(cyclopentylmethyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;methyl 2-methoxy-5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate?
The InChIKey is GRPOXGRDKXSIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O4S.C29H28FN3O3S.C29H28N4O6S.C29H28N4O5S.C28H33N3O3S.C27H26N4O4S/c1-22-19-25(30(34)33-17-15-32(16-18-33)20-23-8-12-27(37-2)13-9-23)10-11-26(22)21-38(35,36)28-7-3-5-24-6-4-14-31-29(24)28;1-21-18-24(29(34)33-16-14-32(15-17-33)19-22-7-11-26(30)12-8-22)9-10-25(21)20-37(35,36)27-6-2-4-23-5-3-13-31-28(23)27;1-38-27-24(29(35)39-2)17-23(18-31-27)32-13-15-33(16-14-32)28(34)22-10-8-20(9-11-22)19-40(36,37)25-7-3-5-21-6-4-12-30-26(21)25;1-2-38-29(35)24-17-25(19-30-18-24)32-13-15-33(16-14-32)28(34)23-10-8-21(9-11-23)20-39(36,37)26-7-3-5-22-6-4-12-31-27(22)26;1-21-18-24(28(32)31-16-14-30(15-17-31)19-22-6-2-3-7-22)11-12-25(21)20-35(33,34)26-10-4-8-23-9-5-13-29-27(23)26;1-35-24-11-13-28-18-23(24)30-14-16-31(17-15-30)27(32)22-9-7-20(8-10-22)19-36(33,34)25-6-2-4-21-5-3-12-29-26(21)25/h3-14,19H,15-18,20-21H2,1-2H3;2-13,18H,14-17,19-20H2,1H3;3-12,17-18H,13-16,19H2,1-2H3;3-12,17-19H,2,13-16,20H2,1H3;4-5,8-13,18,22H,2-3,6-7,14-17,19-20H2,1H3;2-13,18H,14-17,19H2,1H3.
What are the key properties of [4-(cyclopentylmethyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;methyl 2-methoxy-5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate?
[4-(cyclopentylmethyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;methyl 2-methoxy-5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate has a molecular weight of 3146.81 g/mol, XLogP of 24.24, 39 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylmethyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate;[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;methyl 2-methoxy-5-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 158344931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).