C200H207N21O33S7 — CID 158504379
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 (PubChem CID 158504379) has the molecular formula C200H207N21O33S7 and a molecular weight of 3657.44 g/mol. Its IUPAC name is 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.
| Compound Name | 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 |
|---|---|
| PubChem CID | 158504379 |
| Molecular Formula | C200H207N21O33S7 |
| Molecular Weight | 3657.44 g/mol |
| Exact Mass | 3654.32 |
| IUPAC Name | 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 |
| SMILES | CCCOc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.COc1cccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.Cc1cccc(OC(=O)N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.O=C(OC1CCOC1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(OCC1CCCO1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(OCCC1CCCC1)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(CCc2ccccc2)CC1 |
| InChI | InChI=1S/C31H33N3O4S.C29H27N3O5S.C29H33N3O5S.C29H29N3O4S.C29H29N3O3S.C27H29N3O6S.C26H27N3O6S/c1-2-21-38-28-14-10-24(11-15-28)22-33-17-19-34(20-18-33)31(35)27-12-8-25(9-13-27)23-39(36,37)29-7-3-5-26-6-4-16-32-30(26)29;1-21-5-2-8-25(19-21)37-29(34)32-17-15-31(16-18-32)28(33)24-12-10-22(11-13-24)20-38(35,36)26-9-3-6-23-7-4-14-30-27(23)26;33-28(31-16-18-32(19-17-31)29(34)37-20-14-22-5-1-2-6-22)25-12-10-23(11-13-25)21-38(35,36)26-9-3-7-24-8-4-15-30-27(24)26;1-36-26-8-2-5-23(19-26)20-31-15-17-32(18-16-31)29(33)25-12-10-22(11-13-25)21-37(34,35)27-9-3-6-24-7-4-14-30-28(24)27;33-29(32-20-18-31(19-21-32)17-15-23-6-2-1-3-7-23)26-13-11-24(12-14-26)22-36(34,35)27-10-4-8-25-9-5-16-30-28(25)27;31-26(29-13-15-30(16-14-29)27(32)36-18-23-6-3-17-35-23)22-10-8-20(9-11-22)19-37(33,34)24-7-1-4-21-5-2-12-28-25(21)24;30-25(28-12-14-29(15-13-28)26(31)35-22-10-16-34-17-22)21-8-6-19(7-9-21)18-36(32,33)23-5-1-3-20-4-2-11-27-24(20)23/h3-16H,2,17-23H2,1H3;2-14,19H,15-18,20H2,1H3;3-4,7-13,15,22H,1-2,5-6,14,16-21H2;2-14,19H,15-18,20-21H2,1H3;1-14,16H,15,17-22H2;1-2,4-5,7-12,23H,3,6,13-19H2;1-9,11,22H,10,12-18H2 |
| InChIKey | HKHFSQJHSINCCO-UHFFFAOYSA-N |
| XLogP | 28.67 |
| TPSA | 636.18 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 261 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3657.44 |
| LogP ≤ 5 | 28.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 43 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'} |
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