C229H224ClF5N28O33S8 — CID 158546174
[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 158546174) has the molecular formula C229H224ClF5N28O33S8 and a molecular weight of 4283.45 g/mol. Its IUPAC name is [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.
| Compound Name | [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone |
|---|---|
| PubChem CID | 158546174 |
| Molecular Formula | C229H224ClF5N28O33S8 |
| Molecular Weight | 4283.45 g/mol |
| Exact Mass | 4279.41 |
| IUPAC Name | [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-fluoro-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone;[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxyphenyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-[3-methyl-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone |
| SMILES | COc1cc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3cncc(Cl)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ncccc3F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)c(OC)c3)CC2)cc1.COc1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)CC1.COc1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(F)c2)CC1.COc1cccnc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)CC1.COc1ncccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3cccc4cccnc34)c(C)c2)CC1 |
| InChI | InChI=1S/C30H28F3N3O4S.C30H31N3O5S.C29H29N3O4S.C28H27ClN4O4S.C28H27FN4O4S.C28H26FN3O4S.2C28H28N4O4S/c1-40-26-18-23(9-10-24(26)20-41(38,39)27-6-2-4-22-5-3-13-34-28(22)27)29(37)36-16-14-35(15-17-36)19-21-7-11-25(12-8-21)30(31,32)33;1-37-26-12-8-22(9-13-26)20-32-15-17-33(18-16-32)30(34)24-10-11-25(27(19-24)38-2)21-39(35,36)28-7-3-5-23-6-4-14-31-29(23)28;1-21-19-23(29(33)32-17-15-31(16-18-32)25-9-3-4-10-26(25)36-2)12-13-24(21)20-37(34,35)27-11-5-7-22-8-6-14-30-28(22)27;1-37-25-15-22(28(34)33-12-10-32(11-13-33)18-20-14-24(29)17-30-16-20)7-8-23(25)19-38(35,36)26-6-2-4-21-5-3-9-31-27(21)26;1-37-25-17-21(28(34)33-15-13-32(14-16-33)18-24-23(29)7-4-11-30-24)9-10-22(25)19-38(35,36)26-8-2-5-20-6-3-12-31-27(20)26;1-36-25-9-3-2-8-24(25)31-14-16-32(17-15-31)28(33)21-11-12-22(23(29)18-21)19-37(34,35)26-10-4-6-20-7-5-13-30-27(20)26;1-20-18-22(28(33)32-16-14-31(15-17-32)27-24(36-2)8-5-13-30-27)10-11-23(20)19-37(34,35)25-9-3-6-21-7-4-12-29-26(21)25;1-20-18-22(28(33)32-16-14-31(15-17-32)24-8-5-13-30-27(24)36-2)10-11-23(20)19-37(34,35)25-9-3-6-21-7-4-12-29-26(21)25/h2-13,18H,14-17,19-20H2,1H3;3-14,19H,15-18,20-21H2,1-2H3;3-14,19H,15-18,20H2,1-2H3;2-9,14-17H,10-13,18-19H2,1H3;2-12,17H,13-16,18-19H2,1H3;2-13,18H,14-17,19H2,1H3;2*3-13,18H,14-17,19H2,1-2H3 |
| InChIKey | HPDGIXCWEXMRMH-UHFFFAOYSA-N |
| XLogP | 33.88 |
| TPSA | 699.27 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 53 |
| Rotatable Bonds | 53 |
| Heavy Atoms | 304 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4283.45 |
| LogP ≤ 5 | 33.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 53 |