C112H127Cl4F4N13O11 — CID 162046621
8-chloro-2-ethoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;5-chloro-6-methoxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;6-chloro-1-[(2-methylpropan-2-yl)oxy]isoquinoline;4-chloro-6-[(2-methylpropan-2-yl)oxy]-2-phenylpyrimidine;N-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-2-amine;7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline;2-propan-2-yloxyquinoline;2-propan-2-yloxy-4-(trifluoromethyl)quinoline (PubChem CID 162046621) has the molecular formula C112H127Cl4F4N13O11 and a molecular weight of 2049.13 g/mol. Its IUPAC name is 8-chloro-2-ethoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;5-chloro-6-methoxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;6-chloro-1-[(2-methylpropan-2-yl)oxy]isoquinoline;4-chloro-6-[(2-methylpropan-2-yl)oxy]-2-phenylpyrimidine;N-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-2-amine;7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline;2-propan-2-yloxyquinoline;2-propan-2-yloxy-4-(trifluoromethyl)quinoline.
| Compound Name | 8-chloro-2-ethoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;5-chloro-6-methoxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;6-chloro-1-[(2-methylpropan-2-yl)oxy]isoquinoline;4-chloro-6-[(2-methylpropan-2-yl)oxy]-2-phenylpyrimidine;N-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-2-amine;7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline;2-propan-2-yloxyquinoline;2-propan-2-yloxy-4-(trifluoromethyl)quinoline |
|---|---|
| PubChem CID | 162046621 |
| Molecular Formula | C112H127Cl4F4N13O11 |
| Molecular Weight | 2049.13 g/mol |
| Exact Mass | 2045.85 |
| IUPAC Name | 8-chloro-2-ethoxy-4-[(2-methylpropan-2-yl)oxy]quinoline;5-chloro-6-methoxy-1-[(2-methylpropan-2-yl)oxy]isoquinoline;6-chloro-1-[(2-methylpropan-2-yl)oxy]isoquinoline;4-chloro-6-[(2-methylpropan-2-yl)oxy]-2-phenylpyrimidine;N-(4-fluorophenyl)-4-[(2-methylpropan-2-yl)oxy]-6-pyrrolidin-1-ylpyrimidin-2-amine;7-methoxy-4-[(2-methylpropan-2-yl)oxy]quinazoline;2-propan-2-yloxyquinoline;2-propan-2-yloxy-4-(trifluoromethyl)quinoline |
| SMILES | CC(C)(C)Oc1cc(Cl)nc(-c2ccccc2)n1.CC(C)(C)Oc1cc(N2CCCC2)nc(Nc2ccc(F)cc2)n1.CC(C)(C)Oc1nccc2cc(Cl)ccc12.CC(C)Oc1cc(C(F)(F)F)c2ccccc2n1.CC(C)Oc1ccc2ccccc2n1.CCOc1cc(OC(C)(C)C)c2cccc(Cl)c2n1.COc1ccc2c(OC(C)(C)C)nccc2c1Cl.COc1ccc2c(OC(C)(C)C)ncnc2c1 |
| InChI | InChI=1S/C18H23FN4O.C15H18ClNO2.C14H15ClN2O.C14H16ClNO2.C13H14ClNO.C13H12F3NO.C13H16N2O2.C12H13NO/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;1-5-18-13-9-12(19-15(2,3)4)10-7-6-8-11(16)14(10)17-13;1-14(2,3)18-12-9-11(15)16-13(17-12)10-7-5-4-6-8-10;1-14(2,3)18-13-10-5-6-11(17-4)12(15)9(10)7-8-16-13;1-13(2,3)16-12-11-5-4-10(14)8-9(11)6-7-15-12;1-8(2)18-12-7-10(13(14,15)16)9-5-3-4-6-11(9)17-12;1-13(2,3)17-12-10-6-5-9(16-4)7-11(10)14-8-15-12;1-9(2)14-12-8-7-10-5-3-4-6-11(10)13-12/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,21,22);6-9H,5H2,1-4H3;4-9H,1-3H3;5-8H,1-4H3;4-8H,1-3H3;3-8H,1-2H3;5-8H,1-4H3;3-9H,1-2H3 |
| InChIKey | YXYWNMMDUKQYNX-UHFFFAOYSA-N |
| XLogP | 30.59 |
| TPSA | 258.59 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 144 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2049.13 |
| LogP ≤ 5 | 30.59 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 24 |