C166H135BrClF3N18O15 — CID 167536114
N-benzyl-3-(7-bromoquinolin-4-yl)oxybenzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-fluoro-3-(7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide;N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxy-2-methylbenzamide;3-(7-fluoroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-N-[(2-methylphenyl)methyl]-3-quinolin-4-yloxybenzamide;2-methyl-N-(pyridin-3-ylmethyl)-3-quinolin-4-yloxybenzamide (PubChem CID 167536114) has the molecular formula C166H135BrClF3N18O15 and a molecular weight of 2794.37 g/mol. Its IUPAC name is N-benzyl-3-(7-bromoquinolin-4-yl)oxybenzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-fluoro-3-(7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide;N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxy-2-methylbenzamide;3-(7-fluoroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-N-[(2-methylphenyl)methyl]-3-quinolin-4-yloxybenzamide;2-methyl-N-(pyridin-3-ylmethyl)-3-quinolin-4-yloxybenzamide.
| Compound Name | N-benzyl-3-(7-bromoquinolin-4-yl)oxybenzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-fluoro-3-(7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide;N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxy-2-methylbenzamide;3-(7-fluoroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-N-[(2-methylphenyl)methyl]-3-quinolin-4-yloxybenzamide;2-methyl-N-(pyridin-3-ylmethyl)-3-quinolin-4-yloxybenzamide |
|---|---|
| PubChem CID | 167536114 |
| Molecular Formula | C166H135BrClF3N18O15 |
| Molecular Weight | 2794.37 g/mol |
| Exact Mass | 2790.92 |
| IUPAC Name | N-benzyl-3-(7-bromoquinolin-4-yl)oxybenzamide;3-(7-chloroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-fluoro-3-(7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide;N-[(3-fluorophenyl)methyl]-3-(6-methoxy-7-methylquinolin-4-yl)oxy-2-methylbenzamide;3-(7-fluoroquinolin-4-yl)oxy-2-methyl-N-(pyridin-4-ylmethyl)benzamide;2-methyl-N-[(2-methylphenyl)methyl]-3-quinolin-4-yloxybenzamide;2-methyl-N-(pyridin-3-ylmethyl)-3-quinolin-4-yloxybenzamide |
| SMILES | COc1cc2c(Oc3cccc(C(=O)NCc4cccc(F)c4)c3C)ccnc2cc1C.Cc1c(Oc2ccnc3cc(Cl)ccc23)cccc1C(=O)NCc1ccncc1.Cc1c(Oc2ccnc3cc(F)ccc23)cccc1C(=O)NCc1ccncc1.Cc1c(Oc2ccnc3ccccc23)cccc1C(=O)NCc1cccnc1.Cc1ccc2c(Oc3cccc(C(=O)NCc4ccncc4)c3F)ccnc2c1.Cc1ccccc1CNC(=O)c1cccc(Oc2ccnc3ccccc23)c1C.O=C(NCc1ccccc1)c1cccc(Oc2ccnc3cc(Br)ccc23)c1 |
| InChI | InChI=1S/C26H23FN2O3.C25H22N2O2.C23H17BrN2O2.C23H18ClN3O2.2C23H18FN3O2.C23H19N3O2/c1-16-12-22-21(14-25(16)31-3)24(10-11-28-22)32-23-9-5-8-20(17(23)2)26(30)29-15-18-6-4-7-19(27)13-18;1-17-8-3-4-9-19(17)16-27-25(28)20-11-7-13-23(18(20)2)29-24-14-15-26-22-12-6-5-10-21(22)24;24-18-9-10-20-21(14-18)25-12-11-22(20)28-19-8-4-7-17(13-19)23(27)26-15-16-5-2-1-3-6-16;2*1-15-18(23(28)27-14-16-7-10-25-11-8-16)3-2-4-21(15)29-22-9-12-26-20-13-17(24)5-6-19(20)22;1-15-5-6-17-19(13-15)26-12-9-20(17)29-21-4-2-3-18(22(21)24)23(28)27-14-16-7-10-25-11-8-16;1-16-18(23(27)26-15-17-6-5-12-24-14-17)8-4-10-21(16)28-22-11-13-25-20-9-3-2-7-19(20)22/h4-14H,15H2,1-3H3,(H,29,30);3-15H,16H2,1-2H3,(H,27,28);1-14H,15H2,(H,26,27);3*2-13H,14H2,1H3,(H,27,28);2-14H,15H2,1H3,(H,26,27) |
| InChIKey | AOXNMGFQAJDEOT-UHFFFAOYSA-N |
| XLogP | 36.59 |
| TPSA | 419.33 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 204 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2794.37 |
| LogP ≤ 5 | 36.59 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 26 |