[4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
C203H197Cl2F5N22O29S7 — CID 158827022
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC[4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCN(Cc3ccc(Cl)c(F)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ccncc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)c(OC)c3)CC2)cc1F.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1OC.COc1cccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1OC.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2c(F)cccc2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C30H30FN3O5S.2C30H31N3O5S.C29H27ClFN3O4S.C28H25ClFN3O3S.C28H25F2N3O3S.C28H28N4O4S/c1-38-26-11-8-21(17-25(26)31)19-33-13-15-34(16-14-33)30(35)23-9-10-24(27(18-23)39-2)20-40(36,37)28-7-3-5-22-6-4-12-32-29(22)28;1-37-26-9-3-7-25(29(26)38-2)20-32-16-18-33(19-17-32)30(34)24-13-11-22(12-14-24)21-39(35,36)27-10-4-6-23-8-5-15-31-28(23)27;1-37-26-13-10-23(19-27(26)38-2)20-32-15-17-33(18-16-32)30(34)25-11-8-22(9-12-25)21-39(35,36)28-7-3-5-24-6-4-14-31-29(24)28;1-38-26-17-22(29(35)34-14-12-33(13-15-34)18-20-7-10-24(30)25(31)16-20)8-9-23(26)19-39(36,37)27-6-2-4-21-5-3-11-32-28(21)27;29-25-17-24(30)11-10-23(25)18-32-13-15-33(16-14-32)28(34)22-8-6-20(7-9-22)19-37(35,36)26-5-1-3-21-4-2-12-31-27(21)26;29-24-6-2-7-25(30)23(24)18-32-14-16-33(17-15-32)28(34)22-11-9-20(10-12-22)19-37(35,36)26-8-1-4-21-5-3-13-31-27(21)26;1-36-25-18-23(28(33)32-16-14-31(15-17-32)19-21-9-12-29-13-10-21)7-8-24(25)20-37(34,35)26-6-2-4-22-5-3-11-30-27(22)26/h3-12,17-18H,13-16,19-20H2,1-2H3;3-15H,16-21H2,1-2H3;3-14,19H,15-18,20-21H2,1-2H3;2-11,16-17H,12-15,18-19H2,1H3;1-12,17H,13-16,18-19H2;1-13H,14-19H2;2-13,18H,14-17,19-20H2,1H3
InChIKeyIWOUEXWVPXLPDU-UHFFFAOYSA-N
MW3799.30 g/mol
LogP30.63
Rot. Bonds50
About [4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
[4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (PubChem CID 158827022) has the molecular formula C203H197Cl2F5N22O29S7 and a molecular weight of 3799.30 g/mol. Its IUPAC name is [4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
Molecular Properties
| Compound Name | [4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone |
|---|---|
| PubChem CID | 158827022 |
| Molecular Formula | C203H197Cl2F5N22O29S7 |
| Molecular Weight | 3799.30 g/mol |
| Exact Mass | 3795.20 |
| IUPAC Name | [4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone |
| SMILES | COc1cc(C(=O)N2CCN(Cc3ccc(Cl)c(F)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ccncc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)c(OC)c3)CC2)cc1F.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1OC.COc1cccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1OC.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2c(F)cccc2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(F)cc2Cl)CC1 |
| InChI | InChI=1S/C30H30FN3O5S.2C30H31N3O5S.C29H27ClFN3O4S.C28H25ClFN3O3S.C28H25F2N3O3S.C28H28N4O4S/c1-38-26-11-8-21(17-25(26)31)19-33-13-15-34(16-14-33)30(35)23-9-10-24(27(18-23)39-2)20-40(36,37)28-7-3-5-22-6-4-12-32-29(22)28;1-37-26-9-3-7-25(29(26)38-2)20-32-16-18-33(19-17-32)30(34)24-13-11-22(12-14-24)21-39(35,36)27-10-4-6-23-8-5-15-31-28(23)27;1-37-26-13-10-23(19-27(26)38-2)20-32-15-17-33(18-16-32)30(34)25-11-8-22(9-12-25)21-39(35,36)28-7-3-5-24-6-4-14-31-29(24)28;1-38-26-17-22(29(35)34-14-12-33(13-15-34)18-20-7-10-24(30)25(31)16-20)8-9-23(26)19-39(36,37)27-6-2-4-21-5-3-11-32-28(21)27;29-25-17-24(30)11-10-23(25)18-32-13-15-33(16-14-32)28(34)22-8-6-20(7-9-22)19-37(35,36)26-5-1-3-21-4-2-12-31-27(21)26;29-24-6-2-7-25(30)23(24)18-32-14-16-33(17-15-32)28(34)22-11-9-20(10-12-22)19-37(35,36)26-8-1-4-21-5-3-13-31-27(21)26;1-36-25-18-23(28(33)32-16-14-31(15-17-32)19-21-9-12-29-13-10-21)7-8-24(25)20-37(34,35)26-6-2-4-22-5-3-11-30-27(22)26/h3-12,17-18H,13-16,19-20H2,1-2H3;3-15H,16-21H2,1-2H3;3-14,19H,15-18,20-21H2,1-2H3;2-11,16-17H,12-15,18-19H2,1H3;1-12,17H,13-16,18-19H2;1-13H,14-19H2;2-13,18H,14-17,19-20H2,1H3 |
| InChIKey | IWOUEXWVPXLPDU-UHFFFAOYSA-N |
| XLogP | 30.63 |
| TPSA | 580.79 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 268 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3799.30 |
| LogP ≤ 5 | 30.63 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 44 |
Frequently Asked Questions
What is the IUPAC name of [4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone (CID 158827022) is [4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is COc1cc(C(=O)N2CCN(Cc3ccc(Cl)c(F)c3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1cc(C(=O)N2CCN(Cc3ccncc3)CC2)ccc1CS(=O)(=O)c1cccc2cccnc12.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)c(OC)c3)CC2)cc1F.COc1ccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)cc1OC.COc1cccc(CN2CCN(C(=O)c3ccc(CS(=O)(=O)c4cccc5cccnc45)cc3)CC2)c1OC.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2c(F)cccc2F)CC1.O=C(c1ccc(CS(=O)(=O)c2cccc3cccnc23)cc1)N1CCN(Cc2ccc(F)cc2Cl)CC1.
What is the InChIKey of [4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is IWOUEXWVPXLPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN3O5S.2C30H31N3O5S.C29H27ClFN3O4S.C28H25ClFN3O3S.C28H25F2N3O3S.C28H28N4O4S/c1-38-26-11-8-21(17-25(26)31)19-33-13-15-34(16-14-33)30(35)23-9-10-24(27(18-23)39-2)20-40(36,37)28-7-3-5-22-6-4-12-32-29(22)28;1-37-26-9-3-7-25(29(26)38-2)20-32-16-18-33(19-17-32)30(34)24-13-11-22(12-14-24)21-39(35,36)27-10-4-6-23-8-5-15-31-28(23)27;1-37-26-13-10-23(19-27(26)38-2)20-32-15-17-33(18-16-32)30(34)25-11-8-22(9-12-25)21-39(35,36)28-7-3-5-24-6-4-14-31-29(24)28;1-38-26-17-22(29(35)34-14-12-33(13-15-34)18-20-7-10-24(30)25(31)16-20)8-9-23(26)19-39(36,37)27-6-2-4-21-5-3-11-32-28(21)27;29-25-17-24(30)11-10-23(25)18-32-13-15-33(16-14-32)28(34)22-8-6-20(7-9-22)19-37(35,36)26-5-1-3-21-4-2-12-31-27(21)26;29-24-6-2-7-25(30)23(24)18-32-14-16-33(17-15-32)28(34)22-11-9-20(10-12-22)19-37(35,36)26-8-1-4-21-5-3-13-31-27(21)26;1-36-25-18-23(28(33)32-16-14-31(15-17-32)19-21-9-12-29-13-10-21)7-8-24(25)20-37(34,35)26-6-2-4-22-5-3-11-30-27(22)26/h3-12,17-18H,13-16,19-20H2,1-2H3;3-15H,16-21H2,1-2H3;3-14,19H,15-18,20-21H2,1-2H3;2-11,16-17H,12-15,18-19H2,1H3;1-12,17H,13-16,18-19H2;1-13H,14-19H2;2-13,18H,14-17,19-20H2,1H3.
What are the key properties of [4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone?
[4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 3799.30 g/mol, XLogP of 30.63, 50 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chloro-3-fluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone;[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 158827022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158827022 — identifiers, structure, computed properties (public domain)
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