C195H185ClN24O27S7 — CID 157204342
(4-benzylpiperazin-1-yl)-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-chloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-hydroxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(pyridine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone (PubChem CID 157204342) has the molecular formula C195H185ClN24O27S7 and a molecular weight of 3556.69 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-chloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-hydroxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(pyridine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone.
| Compound Name | (4-benzylpiperazin-1-yl)-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-chloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-hydroxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(pyridine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone |
|---|---|
| PubChem CID | 157204342 |
| Molecular Formula | C195H185ClN24O27S7 |
| Molecular Weight | 3556.69 g/mol |
| Exact Mass | 3553.16 |
| IUPAC Name | (4-benzylpiperazin-1-yl)-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-chloro-2-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-hydroxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;N-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]phenyl]quinoline-8-sulfonamide;[4-(pyridine-2-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone |
| SMILES | COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.COc1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(O)c2)CC1.Cc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(C(=O)c2ccccn2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2cc(Cl)ccc2O)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccccc2)CC1.O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(C(=O)c2ccccn2)CC1 |
| InChI | InChI=1S/C29H29N3O4S.C29H29N3O3S.C28H26ClN3O4S.C28H27N3O5S.C28H27N3O3S.C27H24N4O4S.C26H23N5O4S/c1-36-26-13-9-22(10-14-26)20-31-16-18-32(19-17-31)29(33)25-11-7-23(8-12-25)21-37(34,35)27-6-2-4-24-5-3-15-30-28(24)27;1-22-7-9-23(10-8-22)20-31-16-18-32(19-17-31)29(33)26-13-11-24(12-14-26)21-36(34,35)27-6-2-4-25-5-3-15-30-28(25)27;29-24-10-11-25(33)23(17-24)18-31-13-15-32(16-14-31)28(34)22-8-6-20(7-9-22)19-37(35,36)26-5-1-3-21-4-2-12-30-27(21)26;1-36-25-9-3-2-8-23(25)30-14-16-31(17-15-30)28(33)21-11-12-22(24(32)18-21)19-37(34,35)26-10-4-6-20-7-5-13-29-27(20)26;32-28(31-18-16-30(17-19-31)20-22-6-2-1-3-7-22)25-13-11-23(12-14-25)21-35(33,34)26-10-4-8-24-9-5-15-29-27(24)26;32-26(30-15-17-31(18-16-30)27(33)23-7-1-2-13-28-23)22-11-9-20(10-12-22)19-36(34,35)24-8-3-5-21-6-4-14-29-25(21)24;32-25(30-15-17-31(18-16-30)26(33)22-7-1-2-13-27-22)20-9-11-21(12-10-20)29-36(34,35)23-8-3-5-19-6-4-14-28-24(19)23/h2-15H,16-21H2,1H3;2-15H,16-21H2,1H3;1-12,17,33H,13-16,18-19H2;2-13,18,32H,14-17,19H2,1H3;1-15H,16-21H2;1-14H,15-19H2;1-14,29H,15-18H2 |
| InChIKey | ARECSXATSJXIFZ-UHFFFAOYSA-N |
| XLogP | 27.46 |
| TPSA | 624.93 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 254 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3556.69 |
| LogP ≤ 5 | 27.46 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 41 |
| Structural Alerts | {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'} |
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