C96H117N23O10S — CID 161416283
4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine;5-morpholin-4-yl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide (PubChem CID 161416283) has the molecular formula C96H117N23O10S and a molecular weight of 1785.21 g/mol. Its IUPAC name is 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine;5-morpholin-4-yl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide.
| Compound Name | 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine;5-morpholin-4-yl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 161416283 |
| Molecular Formula | C96H117N23O10S |
| Molecular Weight | 1785.21 g/mol |
| Exact Mass | 1783.91 |
| IUPAC Name | 4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine;4-methyl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-1,3-thiazol-2-amine;5-morpholin-4-yl-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide |
| SMILES | Cc1ccnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)c1.Cc1csc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.NC(=O)c1ccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.c1cnc2c(OC3CCC(Nc4ncc(N5CCOCC5)cn4)CC3)cc(N3CCOCC3)cc2n1 |
| InChI | InChI=1S/C26H33N7O3.C24H28N6O3.C24H29N5O2.C22H27N5O2S/c1-3-22(4-2-19(1)31-26-29-17-21(18-30-26)33-9-13-35-14-10-33)36-24-16-20(32-7-11-34-12-8-32)15-23-25(24)28-6-5-27-23;25-24(31)16-1-6-22(28-15-16)29-17-2-4-19(5-3-17)33-21-14-18(30-9-11-32-12-10-30)13-20-23(21)27-8-7-26-20;1-17-6-7-26-23(14-17)28-18-2-4-20(5-3-18)31-22-16-19(29-10-12-30-13-11-29)15-21-24(22)27-9-8-25-21;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/h5-6,15-19,22H,1-4,7-14H2,(H,29,30,31);1,6-8,13-15,17,19H,2-5,9-12H2,(H2,25,31)(H,28,29);6-9,14-16,18,20H,2-5,10-13H2,1H3,(H,26,28);6-7,12-14,16,18H,2-5,8-11H2,1H3,(H,25,26) |
| InChIKey | VWCYIMFXBZYLHC-UHFFFAOYSA-N |
| XLogP | 13.66 |
| TPSA | 358.05 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 130 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1785.21 |
| LogP ≤ 5 | 13.66 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 33 |