C101H119BrN22O11 — CID 159518743
5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 159518743) has the molecular formula C101H119BrN22O11 and a molecular weight of 1897.11 g/mol. Its IUPAC name is 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone.
| Compound Name | 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone |
|---|---|
| PubChem CID | 159518743 |
| Molecular Formula | C101H119BrN22O11 |
| Molecular Weight | 1897.11 g/mol |
| Exact Mass | 1894.86 |
| IUPAC Name | 5-bromo-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;5-ethyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;6-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridine-2-carboxamide;[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-5-yl]-pyrrolidin-1-ylmethanone |
| SMILES | Brc1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.CCc1ccc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.Cc1cccc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.O=C(c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1)N1CCCC1 |
| InChI | InChI=1S/C27H33N7O3.C26H31N5O3.C25H29N5O3.C23H26BrN5O2/c35-26(34-9-1-2-10-34)19-17-30-27(31-18-19)32-20-3-5-22(6-4-20)37-24-16-21(33-11-13-36-14-12-33)15-23-25(24)29-8-7-28-23;1-2-18-3-8-22(29-17-18)26(32)30-19-4-6-21(7-5-19)34-24-16-20(31-11-13-33-14-12-31)15-23-25(24)28-10-9-27-23;1-17-3-2-4-21(28-17)25(31)29-18-5-7-20(8-6-18)33-23-16-19(30-11-13-32-14-12-30)15-22-24(23)27-10-9-26-22;24-16-1-6-22(27-15-16)28-17-2-4-19(5-3-17)31-21-14-18(29-9-11-30-12-10-29)13-20-23(21)26-8-7-25-20/h7-8,15-18,20,22H,1-6,9-14H2,(H,30,31,32);3,8-10,15-17,19,21H,2,4-7,11-14H2,1H3,(H,30,32);2-4,9-10,15-16,18,20H,5-8,11-14H2,1H3,(H,29,31);1,6-8,13-15,17,19H,2-5,9-12H2,(H,27,28) |
| InChIKey | MBNPMCUVYCZFHA-UHFFFAOYSA-N |
| XLogP | 14.55 |
| TPSA | 356.94 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 135 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1897.11 |
| LogP ≤ 5 | 14.55 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 30 |