C119H160Cl6N14O22S — CID 161340014
8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;8-chloro-2-ethylsulfanyl-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;1-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;8-chloro-N-(2-methoxyethyl)-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine (PubChem CID 161340014) has the molecular formula C119H160Cl6N14O22S and a molecular weight of 2383.45 g/mol. Its IUPAC name is 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;8-chloro-2-ethylsulfanyl-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;1-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;8-chloro-N-(2-methoxyethyl)-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine.
| Compound Name | 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;8-chloro-2-ethylsulfanyl-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;1-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;8-chloro-N-(2-methoxyethyl)-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine |
|---|---|
| PubChem CID | 161340014 |
| Molecular Formula | C119H160Cl6N14O22S |
| Molecular Weight | 2383.45 g/mol |
| Exact Mass | 2378.97 |
| IUPAC Name | 8-chloro-2,7-bis(2-methoxyethoxy)-4-propan-2-yloxyquinoline;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;8-chloro-2-ethylsulfanyl-7-(2-methoxyethoxy)-4-propan-2-yloxyquinoline;1-[8-chloro-7-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-2-yl]-N-propan-2-ylpyrazol-3-amine;8-chloro-N-(2-methoxyethyl)-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;8-chloro-7-(2-morpholin-4-ylethoxy)-N-propan-2-yl-4-propan-2-yloxyquinolin-2-amine |
| SMILES | CC(C)Nc1cc(OC(C)C)c2ccc(OCCN3CCOCC3)c(Cl)c2n1.CC(C)Oc1cc(OC2CC2)nc2c(Cl)c(OCCN3CCOCC3)ccc12.CCSc1cc(OC(C)C)c2ccc(OCCOC)c(Cl)c2n1.COCCNc1cc(OC(C)C)c2ccc(OCCN3CCOCC3)c(Cl)c2n1.COCCOc1cc(OC(C)C)c2ccc(OCCOC)c(Cl)c2n1.COCCOc1ccc2c(OC(C)C)cc(-n3ccc(NC(C)C)n3)nc2c1Cl |
| InChI | InChI=1S/C21H27ClN4O3.C21H30ClN3O4.C21H30ClN3O3.C21H27ClN2O4.C18H24ClNO5.C17H22ClNO3S/c1-13(2)23-18-8-9-26(25-18)19-12-17(29-14(3)4)15-6-7-16(28-11-10-27-5)20(22)21(15)24-19;1-15(2)29-18-14-19(23-6-10-26-3)24-21-16(18)4-5-17(20(21)22)28-13-9-25-7-11-27-12-8-25;1-14(2)23-19-13-18(28-15(3)4)16-5-6-17(20(22)21(16)24-19)27-12-9-25-7-10-26-11-8-25;1-14(2)27-18-13-19(28-15-3-4-15)23-21-16(18)5-6-17(20(21)22)26-12-9-24-7-10-25-11-8-24;1-12(2)25-15-11-16(24-10-8-22-4)20-18-13(15)5-6-14(17(18)19)23-9-7-21-3;1-5-23-15-10-14(22-11(2)3)12-6-7-13(21-9-8-20-4)16(18)17(12)19-15/h6-9,12-14H,10-11H2,1-5H3,(H,23,25);4-5,14-15H,6-13H2,1-3H3,(H,23,24);5-6,13-15H,7-12H2,1-4H3,(H,23,24);5-6,13-15H,3-4,7-12H2,1-2H3;5-6,11-12H,7-10H2,1-4H3;6-7,10-11H,5,8-9H2,1-4H3 |
| InChIKey | VMNRCMPTBPSWJK-UHFFFAOYSA-N |
| XLogP | 24.82 |
| TPSA | 344.03 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 53 |
| Heavy Atoms | 162 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2383.45 |
| LogP ≤ 5 | 24.82 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 37 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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