C142H190Cl7N19O25S2 — CID 158807593
8-chloro-N-cyclopropyl-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;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;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;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;4-[2-[8-chloro-4-propan-2-yloxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine (PubChem CID 158807593) has the molecular formula C142H190Cl7N19O25S2 and a molecular weight of 2875.49 g/mol. Its IUPAC name is 8-chloro-N-cyclopropyl-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;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;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;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;4-[2-[8-chloro-4-propan-2-yloxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine.
| Compound Name | 8-chloro-N-cyclopropyl-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;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;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;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;4-[2-[8-chloro-4-propan-2-yloxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine |
|---|---|
| PubChem CID | 158807593 |
| Molecular Formula | C142H190Cl7N19O25S2 |
| Molecular Weight | 2875.49 g/mol |
| Exact Mass | 2870.14 |
| IUPAC Name | 8-chloro-N-cyclopropyl-7-(2-morpholin-4-ylethoxy)-4-propan-2-yloxyquinolin-2-amine;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;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;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;4-[2-[8-chloro-4-propan-2-yloxy-2-(1H-1,2,4-triazol-5-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine |
| SMILES | CC(C)Nc1cc(OC(C)C)c2ccc(OCCN3CCOCC3)c(Cl)c2n1.CC(C)Oc1cc(NC2CC2)nc2c(Cl)c(OCCN3CCOCC3)ccc12.CC(C)Oc1cc(OC2CC2)nc2c(Cl)c(OCCN3CCOCC3)ccc12.CC(C)Oc1cc(Sc2ncn[nH]2)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(OCCN3CCOCC3)c(Cl)c2n1 |
| InChI | InChI=1S/C21H30ClN3O4.C21H28ClN3O3.C21H30ClN3O3.C21H29ClN2O5.C21H27ClN2O4.C20H24ClN5O3S.C17H22ClNO3S/c1-15(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)28-18-13-19(23-15-3-4-15)24-21-16(18)5-6-17(20(21)22)27-12-9-25-7-10-26-11-8-25;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;1-15(2)29-18-14-19(28-13-12-25-3)23-21-16(18)4-5-17(20(21)22)27-11-8-24-6-9-26-10-7-24;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;1-13(2)29-16-11-17(30-20-22-12-23-25-20)24-19-14(16)3-4-15(18(19)21)28-10-7-26-5-8-27-9-6-26;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/h4-5,14-15H,6-13H2,1-3H3,(H,23,24);5-6,13-15H,3-4,7-12H2,1-2H3,(H,23,24);5-6,13-15H,7-12H2,1-4H3,(H,23,24);4-5,14-15H,6-13H2,1-3H3;5-6,13-15H,3-4,7-12H2,1-2H3;3-4,11-13H,5-10H2,1-2H3,(H,22,23,25);6-7,10-11H,5,8-9H2,1-4H3 |
| InChIKey | IUGVYDIZWGCLRI-UHFFFAOYSA-N |
| XLogP | 27.42 |
| TPSA | 418.08 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 45 |
| Rotatable Bonds | 60 |
| Heavy Atoms | 195 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2875.49 |
| LogP ≤ 5 | 27.42 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 45 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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