[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(4-fluorophenyl)-2-methylpropanoyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(thiadiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

C191H181ClF3N31O26S9 — CID 162206633

IUPAC[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(4-fluorophenyl)-2-methylpropanoyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(thiadiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
SMILESCOc1ccncc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.Cc1cc(C(=O)N2CCN(C(=O)C(C)(C)c3ccc(F)cc3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(C(=O)c3cscn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(C(=O)c3csnn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccncc2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cncc(Cl)c2)CC1
InChIInChI=1S/C31H31FN4O4S.C29H27FN4O4S.C28H28N4O4S.C27H25ClN4O3S.C27H25FN4O3S.C25H23N5O4S2.C24H22N6O4S2/c1-21-20-23(9-14-26(21)34-41(39,40)27-8-4-6-22-7-5-15-33-28(22)27)29(37)35-16-18-36(19-17-35)30(38)31(2,3)24-10-12-25(32)13-11-24;1-20-18-23(9-12-25(20)32-39(37,38)26-6-2-4-22-5-3-13-31-28(22)26)29(36)34-16-14-33(15-17-34)27(35)19-21-7-10-24(30)11-8-21;1-36-25-11-13-29-18-24(25)19-31-14-16-32(17-15-31)28(33)23-9-7-21(8-10-23)20-37(34,35)26-6-2-4-22-5-3-12-30-27(22)26;28-24-15-21(16-29-17-24)18-31-11-13-32(14-12-31)27(33)23-8-6-20(7-9-23)19-36(34,35)25-5-1-3-22-4-2-10-30-26(22)25;28-24-17-29-12-10-23(24)18-31-13-15-32(16-14-31)27(33)22-8-6-20(7-9-22)19-36(34,35)25-5-1-3-21-4-2-11-30-26(21)25;1-17-14-19(24(31)29-10-12-30(13-11-29)25(32)21-15-35-16-27-21)7-8-20(17)28-36(33,34)22-6-2-4-18-5-3-9-26-23(18)22;1-16-14-18(23(31)29-10-12-30(13-11-29)24(32)20-15-35-28-26-20)7-8-19(16)27-36(33,34)21-6-2-4-17-5-3-9-25-22(17)21/h4-15,20,34H,16-19H2,1-3H3;2-13,18,32H,14-17,19H2,1H3;2-13,18H,14-17,19-20H2,1H3;1-10,15-17H,11-14,18-19H2;1-12,17H,13-16,18-19H2;2-9,14-16,28H,10-13H2,1H3;2-9,14-15,27H,10-13H2,1H3
InChIKeyZSGWGNOJGMZBQJ-UHFFFAOYSA-N
MW3707.79 g/mol
LogP26.43
Rot. Bonds41

About [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(4-fluorophenyl)-2-methylpropanoyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(thiadiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide

[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(4-fluorophenyl)-2-methylpropanoyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(thiadiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide (PubChem CID 162206633) has the molecular formula C191H181ClF3N31O26S9 and a molecular weight of 3707.79 g/mol. Its IUPAC name is [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(4-fluorophenyl)-2-methylpropanoyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(thiadiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide.

Molecular Properties

Compound Name[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(4-fluorophenyl)-2-methylpropanoyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(thiadiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
PubChem CID162206633
Molecular FormulaC191H181ClF3N31O26S9
Molecular Weight3707.79 g/mol
Exact Mass3704.09
IUPAC Name[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(4-fluorophenyl)-2-methylpropanoyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(thiadiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
SMILESCOc1ccncc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.Cc1cc(C(=O)N2CCN(C(=O)C(C)(C)c3ccc(F)cc3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(C(=O)c3cscn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(C(=O)c3csnn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccncc2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cncc(Cl)c2)CC1
InChIInChI=1S/C31H31FN4O4S.C29H27FN4O4S.C28H28N4O4S.C27H25ClN4O3S.C27H25FN4O3S.C25H23N5O4S2.C24H22N6O4S2/c1-21-20-23(9-14-26(21)34-41(39,40)27-8-4-6-22-7-5-15-33-28(22)27)29(37)35-16-18-36(19-17-35)30(38)31(2,3)24-10-12-25(32)13-11-24;1-20-18-23(9-12-25(20)32-39(37,38)26-6-2-4-22-5-3-13-31-28(22)26)29(36)34-16-14-33(15-17-34)27(35)19-21-7-10-24(30)11-8-21;1-36-25-11-13-29-18-24(25)19-31-14-16-32(17-15-31)28(33)23-9-7-21(8-10-23)20-37(34,35)26-6-2-4-22-5-3-12-30-27(22)26;28-24-15-21(16-29-17-24)18-31-11-13-32(14-12-31)27(33)23-8-6-20(7-9-23)19-36(34,35)25-5-1-3-22-4-2-10-30-26(22)25;28-24-17-29-12-10-23(24)18-31-13-15-32(16-14-31)27(33)22-8-6-20(7-9-22)19-36(34,35)25-5-1-3-21-4-2-11-30-26(21)25;1-17-14-19(24(31)29-10-12-30(13-11-29)25(32)21-15-35-16-27-21)7-8-20(17)28-36(33,34)22-6-2-4-18-5-3-9-26-23(18)22;1-16-14-18(23(31)29-10-12-30(13-11-29)24(32)20-15-35-28-26-20)7-8-19(16)27-36(33,34)21-6-2-4-17-5-3-9-25-22(17)21/h4-15,20,34H,16-19H2,1-3H3;2-13,18,32H,14-17,19H2,1H3;2-13,18H,14-17,19-20H2,1H3;1-10,15-17H,11-14,18-19H2;1-12,17H,13-16,18-19H2;2-9,14-16,28H,10-13H2,1H3;2-9,14-15,27H,10-13H2,1H3
InChIKeyZSGWGNOJGMZBQJ-UHFFFAOYSA-N
XLogP26.43
TPSA697.03 Ų
H-Bond Donors4
H-Bond Acceptors44
Rotatable Bonds41
Heavy Atoms261
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003707.79
LogP ≤ 526.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1044

Analyze [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(4-fluorophenyl)-2-methylpropanoyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(thiadiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[4-(5-chloropyridine-3-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(4-fluoropyridine-2-carbonyl)piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[[3-(2-methylpropoxy)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-[4-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 158497825
N-[4-[4-[(3,5-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide
CID 67504938
N-[2-methoxy-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59634765
N-[4-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide
CID 59635197
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 149242846
N-[2-methyl-4-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59634797
N-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide
CID 67505065
N-[4-[4-[(3,5-dichlorophenyl)methyl]piperazine-1-carbonyl]-2-fluorophenyl]quinoline-8-sulfonamide
CID 59634800
N-[2-fluoro-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 59635310
N-[2-fluoro-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 67505097
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-[(3-fluoro-2-pyridinyl)methyl]piperazine-1-carbonyl]-2-methoxyphenyl]quinoline-8-sulfonamide
CID 67505105

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(4-fluorophenyl)-2-methylpropanoyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(thiadiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The IUPAC name of [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(4-fluorophenyl)-2-methylpropanoyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(thiadiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide (CID 162206633) is [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(4-fluorophenyl)-2-methylpropanoyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(thiadiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide.
What is the SMILES notation for [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(4-fluorophenyl)-2-methylpropanoyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(thiadiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The canonical SMILES for [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(4-fluorophenyl)-2-methylpropanoyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(thiadiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide is COc1ccncc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.Cc1cc(C(=O)N2CCN(C(=O)C(C)(C)c3ccc(F)cc3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(C(=O)c3cscn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.Cc1cc(C(=O)N2CCN(C(=O)c3csnn3)CC2)ccc1NS(=O)(=O)c1cccc2cccnc12.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccncc2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cncc(Cl)c2)CC1.
What is the InChIKey of [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(4-fluorophenyl)-2-methylpropanoyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(thiadiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
The InChIKey is ZSGWGNOJGMZBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31FN4O4S.C29H27FN4O4S.C28H28N4O4S.C27H25ClN4O3S.C27H25FN4O3S.C25H23N5O4S2.C24H22N6O4S2/c1-21-20-23(9-14-26(21)34-41(39,40)27-8-4-6-22-7-5-15-33-28(22)27)29(37)35-16-18-36(19-17-35)30(38)31(2,3)24-10-12-25(32)13-11-24;1-20-18-23(9-12-25(20)32-39(37,38)26-6-2-4-22-5-3-13-31-28(22)26)29(36)34-16-14-33(15-17-34)27(35)19-21-7-10-24(30)11-8-21;1-36-25-11-13-29-18-24(25)19-31-14-16-32(17-15-31)28(33)23-9-7-21(8-10-23)20-37(34,35)26-6-2-4-22-5-3-12-30-27(22)26;28-24-15-21(16-29-17-24)18-31-11-13-32(14-12-31)27(33)23-8-6-20(7-9-23)19-36(34,35)25-5-1-3-22-4-2-10-30-26(22)25;28-24-17-29-12-10-23(24)18-31-13-15-32(16-14-31)27(33)22-8-6-20(7-9-22)19-36(34,35)25-5-1-3-21-4-2-11-30-26(21)25;1-17-14-19(24(31)29-10-12-30(13-11-29)25(32)21-15-35-16-27-21)7-8-20(17)28-36(33,34)22-6-2-4-18-5-3-9-26-23(18)22;1-16-14-18(23(31)29-10-12-30(13-11-29)24(32)20-15-35-28-26-20)7-8-19(16)27-36(33,34)21-6-2-4-17-5-3-9-25-22(17)21/h4-15,20,34H,16-19H2,1-3H3;2-13,18,32H,14-17,19H2,1H3;2-13,18H,14-17,19-20H2,1H3;1-10,15-17H,11-14,18-19H2;1-12,17H,13-16,18-19H2;2-9,14-16,28H,10-13H2,1H3;2-9,14-15,27H,10-13H2,1H3.
What are the key properties of [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(4-fluorophenyl)-2-methylpropanoyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(thiadiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide?
[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(4-fluorophenyl)-2-methylpropanoyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(thiadiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide has a molecular weight of 3707.79 g/mol, XLogP of 26.43, 41 rotatable bonds, 4 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;N-[4-[4-[2-(4-fluorophenyl)-2-methylpropanoyl]piperazine-1-carbonyl]-2-methylphenyl]quinoline-8-sulfonamide;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[2-methyl-4-[4-(thiadiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;N-[2-methyl-4-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide is sourced from PubChem (CID 162206633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).