C116H138N30O13S2 — CID 158160267
4-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile;1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine (PubChem CID 158160267) has the molecular formula C116H138N30O13S2 and a molecular weight of 2224.71 g/mol. Its IUPAC name is 4-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile;1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine.
| Compound Name | 4-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile;1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine |
|---|---|
| PubChem CID | 158160267 |
| Molecular Formula | C116H138N30O13S2 |
| Molecular Weight | 2224.71 g/mol |
| Exact Mass | 2223.05 |
| IUPAC Name | 4-methoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazole-2-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carbonitrile;1-[2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine |
| SMILES | COc1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.Cc1csc(C(=O)NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.N#Cc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.OC1CCN(c2ccnc(NC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)n2)C1.c1csc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1 |
| InChI | InChI=1S/C26H33N7O3.C23H25N7O2.C23H28N6O3.C23H27N5O3S.C21H25N5O2S/c34-20-6-10-33(17-20)24-5-7-29-26(31-24)30-18-1-3-21(4-2-18)36-23-16-19(32-11-13-35-14-12-32)15-22-25(23)28-9-8-27-22;24-13-16-14-27-23(28-15-16)29-17-1-3-19(4-2-17)32-21-12-18(30-7-9-31-10-8-30)11-20-22(21)26-6-5-25-20;1-30-21-6-7-26-23(28-21)27-16-2-4-18(5-3-16)32-20-15-17(29-10-12-31-13-11-29)14-19-22(20)25-9-8-24-19;1-15-14-32-23(26-15)22(29)27-16-2-4-18(5-3-16)31-20-13-17(28-8-10-30-11-9-28)12-19-21(20)25-7-6-24-19;1-3-17(4-2-15(1)25-21-24-7-12-29-21)28-19-14-16(26-8-10-27-11-9-26)13-18-20(19)23-6-5-22-18/h5,7-9,15-16,18,20-21,34H,1-4,6,10-14,17H2,(H,29,30,31);5-6,11-12,14-15,17,19H,1-4,7-10H2,(H,27,28,29);6-9,14-16,18H,2-5,10-13H2,1H3,(H,26,27,28);6-7,12-14,16,18H,2-5,8-11H2,1H3,(H,27,29);5-7,12-15,17H,1-4,8-11H2,(H,24,25) |
| InChIKey | FWEINOPYBGVQTG-UHFFFAOYSA-N |
| XLogP | 15.70 |
| TPSA | 474.23 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 161 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2224.71 |
| LogP ≤ 5 | 15.70 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 44 |