[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;N-[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl]acetamide

C200H185F5N22O31S7 — CID 159052027

IUPAC[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;N-[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.COc1cc(O)c(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c(OC)c1.O=C(Oc1ccc(F)cc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(Oc1cccc(F)c1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(Oc1ccccc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cccc(F)c2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C30H30N4O4S.C30H31N3O6S.C28H25F2N3O3S.2C28H24FN3O5S.C28H26FN3O3S.C28H25N3O5S/c1-22(35)32-27-13-9-23(10-14-27)20-33-16-18-34(19-17-33)30(36)26-11-7-24(8-12-26)21-39(37,38)28-6-2-4-25-5-3-15-31-29(25)28;1-38-24-17-26(34)25(27(18-24)39-2)19-32-13-15-33(16-14-32)30(35)23-10-8-21(9-11-23)20-40(36,37)28-7-3-5-22-6-4-12-31-29(22)28;29-24-7-1-5-23(26(24)30)18-32-14-16-33(17-15-32)28(34)22-11-9-20(10-12-22)19-37(35,36)25-8-2-4-21-6-3-13-31-27(21)25;29-23-6-2-7-24(18-23)37-28(34)32-16-14-31(15-17-32)27(33)22-11-9-20(10-12-22)19-38(35,36)25-8-1-4-21-5-3-13-30-26(21)25;29-23-10-12-24(13-11-23)37-28(34)32-17-15-31(16-18-32)27(33)22-8-6-20(7-9-22)19-38(35,36)25-5-1-3-21-4-2-14-30-26(21)25;29-25-8-2-1-5-24(25)19-31-15-17-32(18-16-31)28(33)23-12-10-21(11-13-23)20-36(34,35)26-9-3-6-22-7-4-14-30-27(22)26;32-27(30-16-18-31(19-17-30)28(33)36-24-8-2-1-3-9-24)23-13-11-21(12-14-23)20-37(34,35)25-10-4-6-22-7-5-15-29-26(22)25/h2-15H,16-21H2,1H3,(H,32,35);3-12,17-18,34H,13-16,19-20H2,1-2H3;1-13H,14-19H2;1-13,18H,14-17,19H2;1-14H,15-19H2;1-14H,15-20H2;1-15H,16-20H2
InChIKeyJXJPDODVSUUAAI-UHFFFAOYSA-N
MW3712.26 g/mol
LogP29.54
Rot. Bonds42

About [4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;N-[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl]acetamide

[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;N-[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl]acetamide (PubChem CID 159052027) has the molecular formula C200H185F5N22O31S7 and a molecular weight of 3712.26 g/mol. Its IUPAC name is [4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;N-[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound Name[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;N-[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl]acetamide
PubChem CID159052027
Molecular FormulaC200H185F5N22O31S7
Molecular Weight3712.26 g/mol
Exact Mass3709.15
IUPAC Name[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;N-[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.COc1cc(O)c(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c(OC)c1.O=C(Oc1ccc(F)cc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(Oc1cccc(F)c1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(Oc1ccccc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cccc(F)c2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C30H30N4O4S.C30H31N3O6S.C28H25F2N3O3S.2C28H24FN3O5S.C28H26FN3O3S.C28H25N3O5S/c1-22(35)32-27-13-9-23(10-14-27)20-33-16-18-34(19-17-33)30(36)26-11-7-24(8-12-26)21-39(37,38)28-6-2-4-25-5-3-15-31-29(25)28;1-38-24-17-26(34)25(27(18-24)39-2)19-32-13-15-33(16-14-32)30(35)23-10-8-21(9-11-23)20-40(36,37)28-7-3-5-22-6-4-12-31-29(22)28;29-24-7-1-5-23(26(24)30)18-32-14-16-33(17-15-32)28(34)22-11-9-20(10-12-22)19-37(35,36)25-8-2-4-21-6-3-13-31-27(21)25;29-23-6-2-7-24(18-23)37-28(34)32-16-14-31(15-17-32)27(33)22-11-9-20(10-12-22)19-38(35,36)25-8-1-4-21-5-3-13-30-26(21)25;29-23-10-12-24(13-11-23)37-28(34)32-17-15-31(16-18-32)27(33)22-8-6-20(7-9-22)19-38(35,36)25-5-1-3-21-4-2-14-30-26(21)25;29-25-8-2-1-5-24(25)19-31-15-17-32(18-16-31)28(33)23-12-10-21(11-13-23)20-36(34,35)26-9-3-6-22-7-4-14-30-27(22)26;32-27(30-16-18-31(19-17-30)28(33)36-24-8-2-1-3-9-24)23-13-11-21(12-14-23)20-37(34,35)25-10-4-6-22-7-5-15-29-26(22)25/h2-15H,16-21H2,1H3,(H,32,35);3-12,17-18,34H,13-16,19-20H2,1-2H3;1-13H,14-19H2;1-13,18H,14-17,19H2;1-14H,15-19H2;1-14H,15-20H2;1-15H,16-20H2
InChIKeyJXJPDODVSUUAAI-UHFFFAOYSA-N
XLogP29.54
TPSA640.75 Ų
H-Bond Donors2
H-Bond Acceptors42
Rotatable Bonds42
Heavy Atoms265
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003712.26
LogP ≤ 529.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze [4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;N-[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl]acetamide with MolForge

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Related Compounds

[4-(Cyclohexylmethyl)piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,5-dihydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone
CID 158965906
[4-[(5-Chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[4-(3-phenylpropyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] acetate
CID 159096857
N-[4-[4-(4-chloropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-(3-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(6-methylpyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] acetate;[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] butanoate
CID 162132940
N-[4-[4-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59634978
N-[4-[4-[(4-hydroxy-2-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 134404452
N-[4-[4-[[3-[2-[2-hydroxy-3-[2-[3-hydroxy-4,5-dimethoxy-2-[[4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazin-1-yl]methyl]phenyl]ethoxy]-5-[[4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazin-1-yl]methyl]phenoxy]ethoxy]-2,4-dimethoxyphenyl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 139381579
[4-[(2-Hydroxy-6-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 147221964
[4-[(4-butoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;2-cyclohexylethyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(2-hydroxy-3,4-dimethoxy-6-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 157364293
[4-(cyclopropylmethyl)piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2,3-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(2,6-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;N-[4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-3-methoxyphenyl]quinoline-8-sulfonamide;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 158120210
2-Cyclopentylethyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-methylphenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;oxolan-2-ylmethyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;oxolan-3-yl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-(2-phenylethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-propoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 158504379
[4-[(2-Hydroxy-4,6-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 159052033
Carbon dioxide;ethyl 4-aminobenzoate;8-[(4-ethylphenyl)methylsulfonyl]quinoline;oxolan-2-ol;piperidine;piperidin-1-yl-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;quinoline-8-sulfonyl chloride;bis([4-(quinolin-8-ylsulfonylmethyl)phenyl] formate);hydrochloride
CID 159142273

Frequently Asked Questions

What is the IUPAC name of [4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;N-[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of [4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;N-[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl]acetamide (CID 159052027) is [4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;N-[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for [4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;N-[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for [4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;N-[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.COc1cc(O)c(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c(OC)c1.O=C(Oc1ccc(F)cc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(Oc1cccc(F)c1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(Oc1ccccc1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cccc(F)c2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of [4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;N-[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl]acetamide?
The InChIKey is JXJPDODVSUUAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4S.C30H31N3O6S.C28H25F2N3O3S.2C28H24FN3O5S.C28H26FN3O3S.C28H25N3O5S/c1-22(35)32-27-13-9-23(10-14-27)20-33-16-18-34(19-17-33)30(36)26-11-7-24(8-12-26)21-39(37,38)28-6-2-4-25-5-3-15-31-29(25)28;1-38-24-17-26(34)25(27(18-24)39-2)19-32-13-15-33(16-14-32)30(35)23-10-8-21(9-11-23)20-40(36,37)28-7-3-5-22-6-4-12-31-29(22)28;29-24-7-1-5-23(26(24)30)18-32-14-16-33(17-15-32)28(34)22-11-9-20(10-12-22)19-37(35,36)25-8-2-4-21-6-3-13-31-27(21)25;29-23-6-2-7-24(18-23)37-28(34)32-16-14-31(15-17-32)27(33)22-11-9-20(10-12-22)19-38(35,36)25-8-1-4-21-5-3-13-30-26(21)25;29-23-10-12-24(13-11-23)37-28(34)32-17-15-31(16-18-32)27(33)22-8-6-20(7-9-22)19-38(35,36)25-5-1-3-21-4-2-14-30-26(21)25;29-25-8-2-1-5-24(25)19-31-15-17-32(18-16-31)28(33)23-12-10-21(11-13-23)20-36(34,35)26-9-3-6-22-7-4-14-30-27(22)26;32-27(30-16-18-31(19-17-30)28(33)36-24-8-2-1-3-9-24)23-13-11-21(12-14-23)20-37(34,35)25-10-4-6-22-7-5-15-29-26(22)25/h2-15H,16-21H2,1H3,(H,32,35);3-12,17-18,34H,13-16,19-20H2,1-2H3;1-13H,14-19H2;1-13,18H,14-17,19H2;1-14H,15-19H2;1-14H,15-20H2;1-15H,16-20H2.
What are the key properties of [4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;N-[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl]acetamide?
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;N-[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl]acetamide has a molecular weight of 3712.26 g/mol, XLogP of 29.54, 42 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;(3-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;(4-fluorophenyl) 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;[4-[(2-hydroxy-4,6-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;phenyl 4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazine-1-carboxylate;N-[4-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 159052027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).