C114H147F5N30O14 — CID 159068426
N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]pyridazine-3-carboxamide;N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4-carboxamide;N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]pyrimidine-5-carboxamide;N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;8-[4-[(4,6-difluoropyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane (PubChem CID 159068426) has the molecular formula C114H147F5N30O14 and a molecular weight of 2256.62 g/mol. Its IUPAC name is N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]pyridazine-3-carboxamide;N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4-carboxamide;N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]pyrimidine-5-carboxamide;N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;8-[4-[(4,6-difluoropyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane.
| Compound Name | N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]pyridazine-3-carboxamide;N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4-carboxamide;N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]pyrimidine-5-carboxamide;N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;8-[4-[(4,6-difluoropyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane |
|---|---|
| PubChem CID | 159068426 |
| Molecular Formula | C114H147F5N30O14 |
| Molecular Weight | 2256.62 g/mol |
| Exact Mass | 2255.16 |
| IUPAC Name | N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]pyridazine-3-carboxamide;N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]pyrimidine-4-carboxamide;N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]pyrimidine-5-carboxamide;N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide;8-[4-[(4,6-difluoropyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane |
| SMILES | CCOCC.CCOCC.CCOCC.CCOCC.CCOCC.Nc1cc(OC2CCC(NC(=O)c3cc(C(F)(F)F)[nH]n3)CC2)c2nccnc2c1.Nc1cc(OC2CCC(NC(=O)c3cccnn3)CC2)c2nccnc2c1.Nc1cc(OC2CCC(NC(=O)c3ccncn3)CC2)c2nccnc2c1.Nc1cc(OC2CCC(NC(=O)c3cncnc3)CC2)c2nccnc2c1.Nc1cc(OC2CCC(Nc3nc(F)cc(F)n3)CC2)c2nccnc2c1 |
| InChI | InChI=1S/C19H19F3N6O2.3C19H20N6O2.C18H18F2N6O.5C4H10O/c20-19(21,22)16-9-14(27-28-16)18(29)26-11-1-3-12(4-2-11)30-15-8-10(23)7-13-17(15)25-6-5-24-13;20-13-7-16-18(24-6-5-23-16)17(8-13)27-15-3-1-14(2-4-15)25-19(26)12-9-21-11-22-10-12;20-12-9-16-18(23-8-7-22-16)17(10-12)27-14-3-1-13(2-4-14)25-19(26)15-5-6-21-11-24-15;20-12-10-16-18(22-9-8-21-16)17(11-12)27-14-5-3-13(4-6-14)24-19(26)15-2-1-7-23-25-15;19-15-9-16(20)26-18(25-15)24-11-1-3-12(4-2-11)27-14-8-10(21)7-13-17(14)23-6-5-22-13;5*1-3-5-4-2/h5-9,11-12H,1-4,23H2,(H,26,29)(H,27,28);5-11,14-15H,1-4,20H2,(H,25,26);5-11,13-14H,1-4,20H2,(H,25,26);1-2,7-11,13-14H,3-6,20H2,(H,24,26);5-9,11-12H,1-4,21H2,(H,24,25,26);5*3-4H2,1-2H3 |
| InChIKey | JZIMZJLQYKIACU-UHFFFAOYSA-N |
| XLogP | 17.74 |
| TPSA | 611.53 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 163 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2256.62 |
| LogP ≤ 5 | 17.74 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 39 |
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
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