C119H148N30O15 — CID 161365846
N,N-dimethyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;6-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]cyclobutanecarboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]oxolane-3-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(2H-tetrazol-5-yl)pyridin-2-amine (PubChem CID 161365846) has the molecular formula C119H148N30O15 and a molecular weight of 2238.69 g/mol. Its IUPAC name is N,N-dimethyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;6-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]cyclobutanecarboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]oxolane-3-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(2H-tetrazol-5-yl)pyridin-2-amine.
| Compound Name | N,N-dimethyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;6-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]cyclobutanecarboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]oxolane-3-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(2H-tetrazol-5-yl)pyridin-2-amine |
|---|---|
| PubChem CID | 161365846 |
| Molecular Formula | C119H148N30O15 |
| Molecular Weight | 2238.69 g/mol |
| Exact Mass | 2237.17 |
| IUPAC Name | N,N-dimethyl-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;6-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]cyclobutanecarboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]oxolane-3-carboxamide;N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]-5-(2H-tetrazol-5-yl)pyridin-2-amine |
| SMILES | CCOc1cc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)ncn1.CN(C)C(=O)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)C1CCC1.O=C(NC1CCC(Oc2cc(N3CCOCC3)cc3nccnc23)CC1)C1CCOC1.c1cnc2c(OC3CCC(Nc4ccc(-c5nn[nH]n5)cn4)CC3)cc(N3CCOCC3)cc2n1 |
| InChI | InChI=1S/C25H31N7O3.C24H27N9O2.C24H30N6O3.C23H30N4O4.C23H30N4O3/c1-31(2)24(33)17-15-28-25(29-16-17)30-18-3-5-20(6-4-18)35-22-14-19(32-9-11-34-12-10-32)13-21-23(22)27-8-7-26-21;1-6-22(27-15-16(1)24-29-31-32-30-24)28-17-2-4-19(5-3-17)35-21-14-18(33-9-11-34-12-10-33)13-20-23(21)26-8-7-25-20;1-2-32-23-15-22(27-16-28-23)29-17-3-5-19(6-4-17)33-21-14-18(30-9-11-31-12-10-30)13-20-24(21)26-8-7-25-20;28-23(16-5-10-30-15-16)26-17-1-3-19(4-2-17)31-21-14-18(27-8-11-29-12-9-27)13-20-22(21)25-7-6-24-20;28-23(16-2-1-3-16)26-17-4-6-19(7-5-17)30-21-15-18(27-10-12-29-13-11-27)14-20-22(21)25-9-8-24-20/h7-8,13-16,18,20H,3-6,9-12H2,1-2H3,(H,28,29,30);1,6-8,13-15,17,19H,2-5,9-12H2,(H,27,28)(H,29,30,31,32);7-8,13-17,19H,2-6,9-12H2,1H3,(H,27,28,29);6-7,13-14,16-17,19H,1-5,8-12,15H2,(H,26,28);8-9,14-17,19H,1-7,10-13H2,(H,26,28) |
| InChIKey | VPULHWTZOOUAFI-UHFFFAOYSA-N |
| XLogP | 14.44 |
| TPSA | 489.37 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 164 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2238.69 |
| LogP ≤ 5 | 14.44 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 41 |