[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylquinoline-8-sulfonamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(quinolin-8-ylsulfonylmethyl)-2-pyridinyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(quinolin-8-ylsulfonylmethyl)-3-pyridinyl]methanone

C171H168ClF2N21O22S7 — CID 157091488

IUPAC[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylquinoline-8-sulfonamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(quinolin-8-ylsulfonylmethyl)-2-pyridinyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(quinolin-8-ylsulfonylmethyl)-3-pyridinyl]methanone
SMILESCC(C)(C)Sc1ccccc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.COc1cccc(F)c1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.COc1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cn2)CC1.COc1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)nc2)CC1.COc1ccccc1N1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C32H35N3O3S2.C29H28FN3O4S.C28H25ClFN3O3S.C28H28N4O4S.2C27H26N4O4S/c1-32(2,3)39-28-11-5-4-8-27(28)22-34-18-20-35(21-19-34)31(36)26-15-13-24(14-16-26)23-40(37,38)29-12-6-9-25-10-7-17-33-30(25)29;1-37-26-8-3-7-25(30)24(26)19-32-15-17-33(18-16-32)29(34)23-12-10-21(11-13-23)20-38(35,36)27-9-2-5-22-6-4-14-31-28(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;1-30(37(34,35)26-11-5-7-21-8-6-16-29-27(21)26)23-14-12-22(13-15-23)28(33)32-19-17-31(18-20-32)24-9-3-4-10-25(24)36-2;1-35-24-9-3-2-8-23(24)30-14-16-31(17-15-30)27(32)22-12-11-20(18-29-22)19-36(33,34)25-10-4-6-21-7-5-13-28-26(21)25;1-35-24-9-3-2-8-23(24)30-14-16-31(17-15-30)27(32)21-11-12-22(29-18-21)19-36(33,34)25-10-4-6-20-7-5-13-28-26(20)25/h4-17H,18-23H2,1-3H3;2-14H,15-20H2,1H3;1-12,17H,13-16,18-19H2;3-16H,17-20H2,1-2H3;2*2-13,18H,14-17,19H2,1H3
InChIKeyAESHKXLZLISCAE-UHFFFAOYSA-N
MW3167.27 g/mol
LogP26.51
Rot. Bonds38

About [4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylquinoline-8-sulfonamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(quinolin-8-ylsulfonylmethyl)-2-pyridinyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(quinolin-8-ylsulfonylmethyl)-3-pyridinyl]methanone

[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylquinoline-8-sulfonamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(quinolin-8-ylsulfonylmethyl)-2-pyridinyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(quinolin-8-ylsulfonylmethyl)-3-pyridinyl]methanone (PubChem CID 157091488) has the molecular formula C171H168ClF2N21O22S7 and a molecular weight of 3167.27 g/mol. Its IUPAC name is [4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylquinoline-8-sulfonamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(quinolin-8-ylsulfonylmethyl)-2-pyridinyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(quinolin-8-ylsulfonylmethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylquinoline-8-sulfonamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(quinolin-8-ylsulfonylmethyl)-2-pyridinyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(quinolin-8-ylsulfonylmethyl)-3-pyridinyl]methanone
PubChem CID157091488
Molecular FormulaC171H168ClF2N21O22S7
Molecular Weight3167.27 g/mol
Exact Mass3164.04
IUPAC Name[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylquinoline-8-sulfonamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(quinolin-8-ylsulfonylmethyl)-2-pyridinyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(quinolin-8-ylsulfonylmethyl)-3-pyridinyl]methanone
SMILESCC(C)(C)Sc1ccccc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.COc1cccc(F)c1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.COc1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cn2)CC1.COc1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)nc2)CC1.COc1ccccc1N1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C32H35N3O3S2.C29H28FN3O4S.C28H25ClFN3O3S.C28H28N4O4S.2C27H26N4O4S/c1-32(2,3)39-28-11-5-4-8-27(28)22-34-18-20-35(21-19-34)31(36)26-15-13-24(14-16-26)23-40(37,38)29-12-6-9-25-10-7-17-33-30(25)29;1-37-26-8-3-7-25(30)24(26)19-32-15-17-33(18-16-32)29(34)23-12-10-21(11-13-23)20-38(35,36)27-9-2-5-22-6-4-14-31-28(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;1-30(37(34,35)26-11-5-7-21-8-6-16-29-27(21)26)23-14-12-22(13-15-23)28(33)32-19-17-31(18-20-32)24-9-3-4-10-25(24)36-2;1-35-24-9-3-2-8-23(24)30-14-16-31(17-15-30)27(32)22-12-11-20(18-29-22)19-36(33,34)25-10-4-6-21-7-5-13-28-26(21)25;1-35-24-9-3-2-8-23(24)30-14-16-31(17-15-30)27(32)21-11-12-22(29-18-21)19-36(33,34)25-10-4-6-20-7-5-13-28-26(20)25/h4-17H,18-23H2,1-3H3;2-14H,15-20H2,1H3;1-12,17H,13-16,18-19H2;3-16H,17-20H2,1-2H3;2*2-13,18H,14-17,19H2,1H3
InChIKeyAESHKXLZLISCAE-UHFFFAOYSA-N
XLogP26.51
TPSA489.42 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds38
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003167.27
LogP ≤ 526.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze [4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylquinoline-8-sulfonamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(quinolin-8-ylsulfonylmethyl)-2-pyridinyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(quinolin-8-ylsulfonylmethyl)-3-pyridinyl]methanone with MolForge

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 158170125
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 149242846
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2,3-difluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-ethylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-fluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-fluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-fluorobenzoyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-hydroxy-3-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 159096258
[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[3-(dimethylamino)phenyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-ethylphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;ethyl 2-[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]benzoate;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 158717690
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59634770
N-[4-[4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59634929
[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(3-methoxy-4-pyridinyl)piperazin-1-yl]methanone
CID 157339023
N-[4-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]quinoline-8-sulfonamide;(4-benzyl-1,4-diazepan-1-yl)-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-chloro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]methanone;[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(4-phenyl-1,4-diazepan-1-yl)-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-propoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 161345842
[4-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 149221792
N-[4-[4-[(2-fluoro-6-methoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59635207
[4-[(2-ethylphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 148859589
[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone
CID 59635033

Frequently Asked Questions

What is the IUPAC name of [4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylquinoline-8-sulfonamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(quinolin-8-ylsulfonylmethyl)-2-pyridinyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(quinolin-8-ylsulfonylmethyl)-3-pyridinyl]methanone?
The IUPAC name of [4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylquinoline-8-sulfonamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(quinolin-8-ylsulfonylmethyl)-2-pyridinyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(quinolin-8-ylsulfonylmethyl)-3-pyridinyl]methanone (CID 157091488) is [4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylquinoline-8-sulfonamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(quinolin-8-ylsulfonylmethyl)-2-pyridinyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(quinolin-8-ylsulfonylmethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylquinoline-8-sulfonamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(quinolin-8-ylsulfonylmethyl)-2-pyridinyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(quinolin-8-ylsulfonylmethyl)-3-pyridinyl]methanone?
The canonical SMILES for [4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylquinoline-8-sulfonamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(quinolin-8-ylsulfonylmethyl)-2-pyridinyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(quinolin-8-ylsulfonylmethyl)-3-pyridinyl]methanone is CC(C)(C)Sc1ccccc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.COc1cccc(F)c1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.COc1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cn2)CC1.COc1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)nc2)CC1.COc1ccccc1N1CCN(C(=O)c2ccc(N(C)S(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of [4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylquinoline-8-sulfonamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(quinolin-8-ylsulfonylmethyl)-2-pyridinyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(quinolin-8-ylsulfonylmethyl)-3-pyridinyl]methanone?
The InChIKey is AESHKXLZLISCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O3S2.C29H28FN3O4S.C28H25ClFN3O3S.C28H28N4O4S.2C27H26N4O4S/c1-32(2,3)39-28-11-5-4-8-27(28)22-34-18-20-35(21-19-34)31(36)26-15-13-24(14-16-26)23-40(37,38)29-12-6-9-25-10-7-17-33-30(25)29;1-37-26-8-3-7-25(30)24(26)19-32-15-17-33(18-16-32)29(34)23-12-10-21(11-13-23)20-38(35,36)27-9-2-5-22-6-4-14-31-28(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;1-30(37(34,35)26-11-5-7-21-8-6-16-29-27(21)26)23-14-12-22(13-15-23)28(33)32-19-17-31(18-20-32)24-9-3-4-10-25(24)36-2;1-35-24-9-3-2-8-23(24)30-14-16-31(17-15-30)27(32)22-12-11-20(18-29-22)19-36(33,34)25-10-4-6-21-7-5-13-28-26(21)25;1-35-24-9-3-2-8-23(24)30-14-16-31(17-15-30)27(32)21-11-12-22(29-18-21)19-36(33,34)25-10-4-6-20-7-5-13-28-26(20)25/h4-17H,18-23H2,1-3H3;2-14H,15-20H2,1H3;1-12,17H,13-16,18-19H2;3-16H,17-20H2,1-2H3;2*2-13,18H,14-17,19H2,1H3.
What are the key properties of [4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylquinoline-8-sulfonamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(quinolin-8-ylsulfonylmethyl)-2-pyridinyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(quinolin-8-ylsulfonylmethyl)-3-pyridinyl]methanone?
[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylquinoline-8-sulfonamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(quinolin-8-ylsulfonylmethyl)-2-pyridinyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(quinolin-8-ylsulfonylmethyl)-3-pyridinyl]methanone has a molecular weight of 3167.27 g/mol, XLogP of 26.51, 38 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylquinoline-8-sulfonamide;[4-(2-methoxyphenyl)piperazin-1-yl]-[5-(quinolin-8-ylsulfonylmethyl)-2-pyridinyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(quinolin-8-ylsulfonylmethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 157091488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).