C123H106Cl6F7N23O15 — CID 167579919
[5-(2-amino-8-fluoro-7-morpholin-4-ylquinolin-4-yl)-2-chloro-4-fluorophenyl]-(6-methoxypyridazin-3-yl)methanol;[2-chloro-5-(8-chloro-7-morpholin-4-ylquinolin-4-yl)-4-fluorophenyl]-(6-methoxypyridazin-3-yl)methanol;[2-chloro-4-fluoro-5-(8-fluoro-7-morpholin-4-ylcinnolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol;[2-chloro-4-fluoro-5-(7-morpholin-4-ylcinnolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol;[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol (PubChem CID 167579919) has the molecular formula C123H106Cl6F7N23O15 and a molecular weight of 2492.05 g/mol. Its IUPAC name is [5-(2-amino-8-fluoro-7-morpholin-4-ylquinolin-4-yl)-2-chloro-4-fluorophenyl]-(6-methoxypyridazin-3-yl)methanol;[2-chloro-5-(8-chloro-7-morpholin-4-ylquinolin-4-yl)-4-fluorophenyl]-(6-methoxypyridazin-3-yl)methanol;[2-chloro-4-fluoro-5-(8-fluoro-7-morpholin-4-ylcinnolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol;[2-chloro-4-fluoro-5-(7-morpholin-4-ylcinnolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol;[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol.
| Compound Name | [5-(2-amino-8-fluoro-7-morpholin-4-ylquinolin-4-yl)-2-chloro-4-fluorophenyl]-(6-methoxypyridazin-3-yl)methanol;[2-chloro-5-(8-chloro-7-morpholin-4-ylquinolin-4-yl)-4-fluorophenyl]-(6-methoxypyridazin-3-yl)methanol;[2-chloro-4-fluoro-5-(8-fluoro-7-morpholin-4-ylcinnolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol;[2-chloro-4-fluoro-5-(7-morpholin-4-ylcinnolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol;[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol |
|---|---|
| PubChem CID | 167579919 |
| Molecular Formula | C123H106Cl6F7N23O15 |
| Molecular Weight | 2492.05 g/mol |
| Exact Mass | 2487.63 |
| IUPAC Name | [5-(2-amino-8-fluoro-7-morpholin-4-ylquinolin-4-yl)-2-chloro-4-fluorophenyl]-(6-methoxypyridazin-3-yl)methanol;[2-chloro-5-(8-chloro-7-morpholin-4-ylquinolin-4-yl)-4-fluorophenyl]-(6-methoxypyridazin-3-yl)methanol;[2-chloro-4-fluoro-5-(8-fluoro-7-morpholin-4-ylcinnolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol;[2-chloro-4-fluoro-5-(7-morpholin-4-ylcinnolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol;[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol |
| SMILES | COc1ccc(C(O)c2cc(-c3cc(N)nc4c(F)c(N5CCOCC5)ccc34)c(F)cc2Cl)nn1.COc1ccc(C(O)c2cc(-c3ccnc4c(Cl)c(N5CCOCC5)ccc34)c(F)cc2Cl)nn1.COc1ccc(C(O)c2cc(-c3ccnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)nn1.COc1ccc(C(O)c2cc(-c3cnnc4c(F)c(N5CCOCC5)ccc34)c(F)cc2Cl)nn1.COc1ccc(C(O)c2cc(-c3cnnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)nn1 |
| InChI | InChI=1S/C25H21Cl2FN4O3.C25H22ClF2N5O3.C25H22ClFN4O3.C24H20ClF2N5O3.C24H21ClFN5O3/c1-34-22-5-3-20(30-31-22)25(33)17-12-16(19(28)13-18(17)26)14-6-7-29-24-15(14)2-4-21(23(24)27)32-8-10-35-11-9-32;1-35-22-5-3-19(31-32-22)25(34)16-10-15(18(27)12-17(16)26)14-11-21(29)30-24-13(14)2-4-20(23(24)28)33-6-8-36-9-7-33;1-33-24-5-4-22(29-30-24)25(32)19-13-18(21(27)14-20(19)26)16-6-7-28-23-12-15(2-3-17(16)23)31-8-10-34-11-9-31;1-34-21-5-3-19(29-30-21)24(33)15-10-14(18(26)11-17(15)25)16-12-28-31-23-13(16)2-4-20(22(23)27)32-6-8-35-9-7-32;1-33-23-5-4-21(29-30-23)24(32)17-11-16(20(26)12-19(17)25)18-13-27-28-22-10-14(2-3-15(18)22)31-6-8-34-9-7-31/h2-7,12-13,25,33H,8-11H2,1H3;2-5,10-12,25,34H,6-9H2,1H3,(H2,29,30);2-7,12-14,25,32H,8-11H2,1H3;2-5,10-12,24,33H,6-9H2,1H3;2-5,10-13,24,32H,6-9H2,1H3 |
| InChIKey | HAVBOAGEFNCTOK-UHFFFAOYSA-N |
| XLogP | 21.36 |
| TPSA | 454.80 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 174 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2492.05 |
| LogP ≤ 5 | 21.36 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 38 |