C173H138Cl4F6N22O15 — CID 167561862
N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-3-(7-chloroquinolin-4-yl)oxy-2-methylbenzamide;N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-3-(7-fluoroquinolin-4-yl)oxy-2-methylbenzamide;N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[(2-cyano-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[(3,5-difluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[(3,5-dimethyl-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[[2-(furan-3-yl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide (PubChem CID 167561862) has the molecular formula C173H138Cl4F6N22O15 and a molecular weight of 3020.95 g/mol. Its IUPAC name is N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-3-(7-chloroquinolin-4-yl)oxy-2-methylbenzamide;N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-3-(7-fluoroquinolin-4-yl)oxy-2-methylbenzamide;N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[(2-cyano-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[(3,5-difluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[(3,5-dimethyl-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[[2-(furan-3-yl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide.
| Compound Name | N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-3-(7-chloroquinolin-4-yl)oxy-2-methylbenzamide;N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-3-(7-fluoroquinolin-4-yl)oxy-2-methylbenzamide;N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[(2-cyano-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[(3,5-difluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[(3,5-dimethyl-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[[2-(furan-3-yl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide |
|---|---|
| PubChem CID | 167561862 |
| Molecular Formula | C173H138Cl4F6N22O15 |
| Molecular Weight | 3020.95 g/mol |
| Exact Mass | 3016.94 |
| IUPAC Name | N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-3-(7-chloroquinolin-4-yl)oxy-2-methylbenzamide;N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-3-(7-fluoroquinolin-4-yl)oxy-2-methylbenzamide;N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[(2-cyano-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[(3,5-difluoro-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[(3,5-dimethyl-4-pyridinyl)methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide;N-[[2-(furan-3-yl)-4-pyridinyl]methyl]-2-methyl-3-(7-methylquinolin-4-yl)oxybenzamide |
| SMILES | Cc1c(Oc2ccnc3cc(Cl)ccc23)cccc1C(=O)NCc1ccnc(Cl)c1F.Cc1c(Oc2ccnc3cc(F)ccc23)cccc1C(=O)NCc1ccnc(Cl)c1F.Cc1ccc2c(Oc3cccc(C(=O)NCc4c(C)cncc4C)c3C)ccnc2c1.Cc1ccc2c(Oc3cccc(C(=O)NCc4c(F)cncc4F)c3C)ccnc2c1.Cc1ccc2c(Oc3cccc(C(=O)NCc4ccnc(-c5ccoc5)c4)c3C)ccnc2c1.Cc1ccc2c(Oc3cccc(C(=O)NCc4ccnc(C#N)c4)c3C)ccnc2c1.Cc1ccc2c(Oc3cccc(C(=O)NCc4ccnc(Cl)c4F)c3C)ccnc2c1 |
| InChI | InChI=1S/C28H23N3O3.C26H25N3O2.C25H20N4O2.C24H19ClFN3O2.C24H19F2N3O2.C23H16Cl2FN3O2.C23H16ClF2N3O2/c1-18-6-7-23-25(14-18)30-12-9-27(23)34-26-5-3-4-22(19(26)2)28(32)31-16-20-8-11-29-24(15-20)21-10-13-33-17-21;1-16-8-9-21-23(12-16)28-11-10-25(21)31-24-7-5-6-20(19(24)4)26(30)29-15-22-17(2)13-27-14-18(22)3;1-16-6-7-21-22(12-16)28-11-9-24(21)31-23-5-3-4-20(17(23)2)25(30)29-15-18-8-10-27-19(13-18)14-26;1-14-6-7-18-19(12-14)27-11-9-21(18)31-20-5-3-4-17(15(20)2)24(30)29-13-16-8-10-28-23(25)22(16)26;1-14-6-7-17-21(10-14)28-9-8-23(17)31-22-5-3-4-16(15(22)2)24(30)29-11-18-19(25)12-27-13-20(18)26;1-13-16(23(30)29-12-14-7-9-28-22(25)21(14)26)3-2-4-19(13)31-20-8-10-27-18-11-15(24)5-6-17(18)20;1-13-16(23(30)29-12-14-7-9-28-22(24)21(14)26)3-2-4-19(13)31-20-8-10-27-18-11-15(25)5-6-17(18)20/h3-15,17H,16H2,1-2H3,(H,31,32);5-14H,15H2,1-4H3,(H,29,30);3-13H,15H2,1-2H3,(H,29,30);3-12H,13H2,1-2H3,(H,29,30);3-10,12-13H,11H2,1-2H3,(H,29,30);2*2-11H,12H2,1H3,(H,29,30) |
| InChIKey | DTNGSYYWKAYNQI-UHFFFAOYSA-N |
| XLogP | 39.36 |
| TPSA | 485.70 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 220 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3020.95 |
| LogP ≤ 5 | 39.36 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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