C132H160BrCl2FN14O21 — CID 159731472
8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;6-cyclopropyloxy-1-propan-2-yloxyisoquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;N-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxy]-2-pyrrolidin-1-ylpyrimidin-4-amine;6-(2-methoxyethoxy)-1-propan-2-yloxyisoquinoline;7-methoxy-1-propan-2-ylcinnolin-4-one;7-methoxy-4-propan-2-yloxyquinazoline (PubChem CID 159731472) has the molecular formula C132H160BrCl2FN14O21 and a molecular weight of 2448.62 g/mol. Its IUPAC name is 8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;6-cyclopropyloxy-1-propan-2-yloxyisoquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;N-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxy]-2-pyrrolidin-1-ylpyrimidin-4-amine;6-(2-methoxyethoxy)-1-propan-2-yloxyisoquinoline;7-methoxy-1-propan-2-ylcinnolin-4-one;7-methoxy-4-propan-2-yloxyquinazoline.
| Compound Name | 8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;6-cyclopropyloxy-1-propan-2-yloxyisoquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;N-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxy]-2-pyrrolidin-1-ylpyrimidin-4-amine;6-(2-methoxyethoxy)-1-propan-2-yloxyisoquinoline;7-methoxy-1-propan-2-ylcinnolin-4-one;7-methoxy-4-propan-2-yloxyquinazoline |
|---|---|
| PubChem CID | 159731472 |
| Molecular Formula | C132H160BrCl2FN14O21 |
| Molecular Weight | 2448.62 g/mol |
| Exact Mass | 2445.04 |
| IUPAC Name | 8-bromo-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-7-methoxy-4-propan-2-yloxyquinoline;8-chloro-2-ethoxy-4-propan-2-yloxyquinoline;6-cyclopropyloxy-1-propan-2-yloxyisoquinoline;2-ethoxy-7-methoxy-8-methyl-4-propan-2-yloxyquinoline;N-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxy]-2-pyrrolidin-1-ylpyrimidin-4-amine;6-(2-methoxyethoxy)-1-propan-2-yloxyisoquinoline;7-methoxy-1-propan-2-ylcinnolin-4-one;7-methoxy-4-propan-2-yloxyquinazoline |
| SMILES | CC(C)(C)Oc1cc(Nc2ccc(F)cc2)nc(N2CCCC2)n1.CC(C)Oc1nccc2cc(OC3CC3)ccc12.CCOc1cc(OC(C)C)c2ccc(OC)c(Br)c2n1.CCOc1cc(OC(C)C)c2ccc(OC)c(C)c2n1.CCOc1cc(OC(C)C)c2ccc(OC)c(Cl)c2n1.CCOc1cc(OC(C)C)c2cccc(Cl)c2n1.COCCOc1ccc2c(OC(C)C)nccc2c1.COc1ccc2c(=O)cnn(C(C)C)c2c1.COc1ccc2c(OC(C)C)ncnc2c1 |
| InChI | InChI=1S/C18H23FN4O.C16H21NO3.C15H18BrNO3.C15H18ClNO3.C15H19NO3.C15H17NO2.C14H16ClNO2.2C12H14N2O2/c1-18(2,3)24-16-12-15(20-14-8-6-13(19)7-9-14)21-17(22-16)23-10-4-5-11-23;1-6-19-15-9-14(20-10(2)3)12-7-8-13(18-5)11(4)16(12)17-15;2*1-5-19-13-8-12(20-9(2)3)10-6-7-11(18-4)14(16)15(10)17-13;1-11(2)19-15-14-5-4-13(18-9-8-17-3)10-12(14)6-7-16-15;1-10(2)17-15-14-6-5-13(18-12-3-4-12)9-11(14)7-8-16-15;1-4-17-13-8-12(18-9(2)3)10-6-5-7-11(15)14(10)16-13;1-8(2)16-12-10-5-4-9(15-3)6-11(10)13-7-14-12;1-8(2)14-11-6-9(16-3)4-5-10(11)12(15)7-13-14/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,21,22);7-10H,6H2,1-5H3;2*6-9H,5H2,1-4H3;4-7,10-11H,8-9H2,1-3H3;5-10,12H,3-4H2,1-2H3;5-9H,4H2,1-3H3;2*4-8H,1-3H3 |
| InChIKey | NBHBVWXRUJKKGU-UHFFFAOYSA-N |
| XLogP | 31.25 |
| TPSA | 363.66 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 171 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2448.62 |
| LogP ≤ 5 | 31.25 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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