C230H223ClF6N28O32S8 — CID 159096857
[4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[4-(3-phenylpropyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] acetate (PubChem CID 159096857) has the molecular formula C230H223ClF6N28O32S8 and a molecular weight of 4297.45 g/mol. Its IUPAC name is [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[4-(3-phenylpropyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] acetate.
| Compound Name | [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[4-(3-phenylpropyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] acetate |
|---|---|
| PubChem CID | 159096857 |
| Molecular Formula | C230H223ClF6N28O32S8 |
| Molecular Weight | 4297.45 g/mol |
| Exact Mass | 4293.40 |
| IUPAC Name | [4-[(5-chloro-3-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-2-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone;[4-(3-phenylpropyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-[[4-[4-(quinolin-8-ylsulfonylmethyl)benzoyl]piperazin-1-yl]methyl]phenyl] acetate |
| SMILES | CC(=O)Oc1cccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1.COc1cc(C(=O)N2CCN(Cc3ccncc3F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3cncc(Cl)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ncccc3C(F)(F)F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ncccc3F)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c(F)c1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(CCCc2ccccc2)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(O)cc2)CC1 |
| InChI | InChI=1S/C30H29N3O5S.C30H31N3O3S.C29H27F3N4O4S.C29H28FN3O4S.C28H27ClN4O4S.2C28H27FN4O4S.C28H27N3O4S/c1-22(34)38-27-8-2-5-24(19-27)20-32-15-17-33(18-16-32)30(35)26-12-10-23(11-13-26)21-39(36,37)28-9-3-6-25-7-4-14-31-29(25)28;34-30(33-21-19-32(20-22-33)18-6-9-24-7-2-1-3-8-24)27-15-13-25(14-16-27)23-37(35,36)28-12-4-10-26-11-5-17-31-29(26)28;1-40-25-17-21(9-10-22(25)19-41(38,39)26-8-2-5-20-6-3-12-34-27(20)26)28(37)36-15-13-35(14-16-36)18-24-23(29(30,31)32)7-4-11-33-24;1-37-25-12-11-24(26(30)18-25)19-32-14-16-33(17-15-32)29(34)23-9-7-21(8-10-23)20-38(35,36)27-6-2-4-22-5-3-13-31-28(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;1-37-25-16-21(28(34)33-14-12-32(13-15-33)18-22-9-11-30-17-24(22)29)7-8-23(25)19-38(35,36)26-6-2-4-20-5-3-10-31-27(20)26;32-25-12-8-21(9-13-25)19-30-15-17-31(18-16-30)28(33)24-10-6-22(7-11-24)20-36(34,35)26-5-1-3-23-4-2-14-29-27(23)26/h2-14,19H,15-18,20-21H2,1H3;1-5,7-8,10-17H,6,9,18-23H2;2-12,17H,13-16,18-19H2,1H3;2-13,18H,14-17,19-20H2,1H3;2-9,14-17H,10-13,18-19H2,1H3;2-12,17H,13-16,18-19H2,1H3;2-11,16-17H,12-15,18-19H2,1H3;1-14,32H,15-20H2 |
| InChIKey | KCTWPAZABQHRCN-UHFFFAOYSA-N |
| XLogP | 33.11 |
| TPSA | 708.88 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 52 |
| Rotatable Bonds | 56 |
| Heavy Atoms | 305 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4297.45 |
| LogP ≤ 5 | 33.11 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 52 |