C118H145N27O13S — CID 158902542
2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-4-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine;2-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]propan-2-ol;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-2-one (PubChem CID 158902542) has the molecular formula C118H145N27O13S and a molecular weight of 2181.70 g/mol. Its IUPAC name is 2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-4-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine;2-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]propan-2-ol;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-2-one.
| Compound Name | 2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-4-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine;2-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]propan-2-ol;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-2-one |
|---|---|
| PubChem CID | 158902542 |
| Molecular Formula | C118H145N27O13S |
| Molecular Weight | 2181.70 g/mol |
| Exact Mass | 2180.12 |
| IUPAC Name | 2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;2-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-4-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine;2-[6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-3-pyridinyl]propan-2-ol;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-1H-pyrimidin-2-one |
| SMILES | CC(C)(O)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.CCOc1nccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.Cc1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ccn1.Cc1csc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.O=c1nccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)[nH]1 |
| InChI | InChI=1S/C26H33N5O3.C24H30N6O3.C24H29N5O2.C22H26N6O3.C22H27N5O2S/c1-26(2,32)18-3-8-24(29-17-18)30-19-4-6-21(7-5-19)34-23-16-20(31-11-13-33-14-12-31)15-22-25(23)28-10-9-27-22;1-2-32-24-27-8-7-22(29-24)28-17-3-5-19(6-4-17)33-21-16-18(30-11-13-31-14-12-30)15-20-23(21)26-10-9-25-20;1-17-14-19(6-7-25-17)28-18-2-4-21(5-3-18)31-23-16-20(29-10-12-30-13-11-29)15-22-24(23)27-9-8-26-22;29-22-25-6-5-20(27-22)26-15-1-3-17(4-2-15)31-19-14-16(28-9-11-30-12-10-28)13-18-21(19)24-8-7-23-18;1-15-14-30-22(25-15)26-16-2-4-18(5-3-16)29-20-13-17(27-8-10-28-11-9-27)12-19-21(20)24-7-6-23-19/h3,8-10,15-17,19,21,32H,4-7,11-14H2,1-2H3,(H,29,30);7-10,15-17,19H,2-6,11-14H2,1H3,(H,27,28,29);6-9,14-16,18,21H,2-5,10-13H2,1H3,(H,25,28);5-8,13-15,17H,1-4,9-12H2,(H2,25,26,27,29);6-7,12-14,16,18H,2-5,8-11H2,1H3,(H,25,26) |
| InChIKey | JFPYVZNTPYOHKY-UHFFFAOYSA-N |
| XLogP | 17.71 |
| TPSA | 437.21 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 159 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2181.70 |
| LogP ≤ 5 | 17.71 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 40 |