C224H219F4N31O34S9 — CID 160606886
carbon dioxide;[4-(5-ethyl-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone;[4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone (PubChem CID 160606886) has the molecular formula C224H219F4N31O34S9 and a molecular weight of 4253.99 g/mol. Its IUPAC name is carbon dioxide;[4-(5-ethyl-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone;[4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone.
| Compound Name | carbon dioxide;[4-(5-ethyl-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone;[4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone |
|---|---|
| PubChem CID | 160606886 |
| Molecular Formula | C224H219F4N31O34S9 |
| Molecular Weight | 4253.99 g/mol |
| Exact Mass | 4250.38 |
| IUPAC Name | carbon dioxide;[4-(5-ethyl-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(5-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(4-methoxyphenyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]methanone;[4-(2-methyl-1,3-thiazol-5-yl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone |
| SMILES | CCc1cncc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.COc1cc(C(=O)N2CCN(Cc3ccc(F)cn3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3cnccc3C(F)(F)F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ncccc3OC)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1ccc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1.COc1ccncc1CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(OC)c2)CC1.COc1ncccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)cc2)CC1.Cc1ncc(N2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)s1.O=C=O |
| InChI | InChI=1S/C29H27F3N4O4S.2C29H30N4O5S.C28H27FN4O4S.C28H28N4O3S.C28H27N3O4S.C27H26N4O4S.C25H24N4O3S2.CO2/c1-40-25-16-21(7-8-22(25)19-41(38,39)26-6-2-4-20-5-3-10-34-27(20)26)28(37)36-14-12-35(13-15-36)18-23-17-33-11-9-24(23)29(30,31)32;1-37-25-8-5-12-30-24(25)19-32-14-16-33(17-15-32)29(34)22-10-11-23(26(18-22)38-2)20-39(35,36)27-9-3-6-21-7-4-13-31-28(21)27;1-37-25-10-12-30-18-24(25)19-32-13-15-33(16-14-32)29(34)22-8-9-23(26(17-22)38-2)20-39(35,36)27-7-3-5-21-6-4-11-31-28(21)27;1-37-25-16-21(28(34)33-14-12-32(13-15-33)18-24-10-9-23(29)17-31-24)7-8-22(25)19-38(35,36)26-6-2-4-20-5-3-11-30-27(20)26;1-2-21-17-25(19-29-18-21)31-13-15-32(16-14-31)28(33)24-10-8-22(9-11-24)20-36(34,35)26-7-3-5-23-6-4-12-30-27(23)26;1-35-25-13-11-24(12-14-25)30-16-18-31(19-17-30)28(32)23-9-7-21(8-10-23)20-36(33,34)26-6-2-4-22-5-3-15-29-27(22)26;1-35-26-23(7-4-14-29-26)30-15-17-31(18-16-30)27(32)22-11-9-20(10-12-22)19-36(33,34)24-8-2-5-21-6-3-13-28-25(21)24;1-18-27-16-23(33-18)28-12-14-29(15-13-28)25(30)21-9-7-19(8-10-21)17-34(31,32)22-6-2-4-20-5-3-11-26-24(20)22;2-1-3/h2-11,16-17H,12-15,18-19H2,1H3;3-13,18H,14-17,19-20H2,1-2H3;3-12,17-18H,13-16,19-20H2,1-2H3;2-11,16-17H,12-15,18-19H2,1H3;3-12,17-19H,2,13-16,20H2,1H3;2-15H,16-20H2,1H3;2-14H,15-19H2,1H3;2-11,16H,12-15,17H2,1H3; |
| InChIKey | REZHPEVHGUWBIS-UHFFFAOYSA-N |
| XLogP | 30.69 |
| TPSA | 762.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 58 |
| Rotatable Bonds | 53 |
| Heavy Atoms | 302 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4253.99 |
| LogP ≤ 5 | 30.69 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 58 |