C128H158BrCl2FN14O18 — CID 157214574
8-bromo-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;8-chloro-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;8-chloro-2-ethoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;6-cyclopropyloxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;2-ethoxy-7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinoline;N-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-2-amine;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline (PubChem CID 157214574) has the molecular formula C128H158BrCl2FN14O18 and a molecular weight of 2350.56 g/mol. Its IUPAC name is 8-bromo-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;8-chloro-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;8-chloro-2-ethoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;6-cyclopropyloxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;2-ethoxy-7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinoline;N-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-2-amine;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline.
| Compound Name | 8-bromo-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;8-chloro-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;8-chloro-2-ethoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;6-cyclopropyloxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;2-ethoxy-7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinoline;N-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-2-amine;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline |
|---|---|
| PubChem CID | 157214574 |
| Molecular Formula | C128H158BrCl2FN14O18 |
| Molecular Weight | 2350.56 g/mol |
| Exact Mass | 2347.04 |
| IUPAC Name | 8-bromo-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;8-chloro-2-ethoxy-7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;8-chloro-2-ethoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;6-cyclopropyloxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;2-ethoxy-7-methoxy-8-methyl-4-[(2-methylpropan-2-yl)oxy]quinoline;N-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-2-amine;7-methoxy-4-[(2-methylpropan-2-yl)oxy]-2-pyrazol-1-ylquinoline;7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline |
| SMILES | CC(C)(C)Oc1cc(N2CCCC2)nc(Nc2ccc(F)cc2)n1.CC(C)(C)Oc1nccc2cc(OC3CC3)ccc12.CCOc1cc(OC(C)(C)C)c2ccc(OC)c(Br)c2n1.CCOc1cc(OC(C)(C)C)c2ccc(OC)c(C)c2n1.CCOc1cc(OC(C)(C)C)c2ccc(OC)c(Cl)c2n1.CCOc1cc(OC(C)(C)C)c2cccc(Cl)c2n1.COc1ccc2c(OC(C)(C)C)cc(-n3cccn3)nc2c1.COc1ccc2c(OC(C)(C)C)ncnc2c1 |
| InChI | InChI=1S/C18H23FN4O.C17H19N3O2.C17H23NO3.C16H20BrNO3.C16H20ClNO3.C16H19NO2.C15H18ClNO2.C13H16N2O2/c1-18(2,3)24-16-12-15(23-10-4-5-11-23)21-17(22-16)20-14-8-6-13(19)7-9-14;1-17(2,3)22-15-11-16(20-9-5-8-18-20)19-14-10-12(21-4)6-7-13(14)15;1-7-20-15-10-14(21-17(3,4)5)12-8-9-13(19-6)11(2)16(12)18-15;2*1-6-20-13-9-12(21-16(2,3)4)10-7-8-11(19-5)14(17)15(10)18-13;1-16(2,3)19-15-14-7-6-13(18-12-4-5-12)10-11(14)8-9-17-15;1-5-18-13-9-12(19-15(2,3)4)10-7-6-8-11(16)14(10)17-13;1-13(2,3)17-12-10-6-5-9(16-4)7-11(10)14-8-15-12/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,21,22);5-11H,1-4H3;8-10H,7H2,1-6H3;2*7-9H,6H2,1-5H3;6-10,12H,4-5H2,1-3H3;6-9H,5H2,1-4H3;5-8H,1-4H3 |
| InChIKey | ASGQIWXGIQMKLE-UHFFFAOYSA-N |
| XLogP | 32.16 |
| TPSA | 328.13 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 164 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2350.56 |
| LogP ≤ 5 | 32.16 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 32 |