C129H172Cl6N14O22S — CID 159900718
4-[2-[8-chloro-2-(cyclopropylmethyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(3-methoxypropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-4-propan-2-yloxy-2-(4H-pyrazol-3-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine (PubChem CID 159900718) has the molecular formula C129H172Cl6N14O22S and a molecular weight of 2515.66 g/mol. Its IUPAC name is 4-[2-[8-chloro-2-(cyclopropylmethyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(3-methoxypropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-4-propan-2-yloxy-2-(4H-pyrazol-3-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine.
| Compound Name | 4-[2-[8-chloro-2-(cyclopropylmethyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(3-methoxypropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-4-propan-2-yloxy-2-(4H-pyrazol-3-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine |
|---|---|
| PubChem CID | 159900718 |
| Molecular Formula | C129H172Cl6N14O22S |
| Molecular Weight | 2515.66 g/mol |
| Exact Mass | 2511.06 |
| IUPAC Name | 4-[2-[8-chloro-2-(cyclopropylmethyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-(8-chloro-2-cyclopropyloxy-4-propan-2-yloxyquinolin-7-yl)oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methoxyethoxy)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(3-methoxypropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-2-(2-methylpropyl)-4-propan-2-yloxyquinolin-7-yl]oxyethyl]morpholine;4-[2-[8-chloro-4-propan-2-yloxy-2-(4H-pyrazol-3-ylsulfanyl)quinolin-7-yl]oxyethyl]morpholine |
| SMILES | CC(C)Cc1cc(OC(C)C)c2ccc(OCCN3CCOCC3)c(Cl)c2n1.CC(C)Oc1cc(CC2CC2)nc2c(Cl)c(OCCN3CCOCC3)ccc12.CC(C)Oc1cc(OC2CC2)nc2c(Cl)c(OCCN3CCOCC3)ccc12.CC(C)Oc1cc(SC2=NN=CC2)nc2c(Cl)c(OCCN3CCOCC3)ccc12.COCCCc1cc(OC(C)C)c2ccc(OCCN3CCOCC3)c(Cl)c2n1.COCCOc1cc(OC(C)C)c2ccc(OCCN3CCOCC3)c(Cl)c2n1 |
| InChI | InChI=1S/C22H31ClN2O4.C22H29ClN2O3.C22H31ClN2O3.C21H25ClN4O3S.C21H29ClN2O5.C21H27ClN2O4/c1-16(2)29-20-15-17(5-4-11-26-3)24-22-18(20)6-7-19(21(22)23)28-14-10-25-8-12-27-13-9-25;1-15(2)28-20-14-17(13-16-3-4-16)24-22-18(20)5-6-19(21(22)23)27-12-9-25-7-10-26-11-8-25;1-15(2)13-17-14-20(28-16(3)4)18-5-6-19(21(23)22(18)24-17)27-12-9-25-7-10-26-11-8-25;1-14(2)29-17-13-19(30-18-5-6-23-25-18)24-21-15(17)3-4-16(20(21)22)28-12-9-26-7-10-27-11-8-26;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/h6-7,15-16H,4-5,8-14H2,1-3H3;5-6,14-16H,3-4,7-13H2,1-2H3;5-6,14-16H,7-13H2,1-4H3;3-4,6,13-14H,5,7-12H2,1-2H3;4-5,14-15H,6-13H2,1-3H3;5-6,13-15H,3-4,7-12H2,1-2H3 |
| InChIKey | NVXNVWDMFIJHMS-UHFFFAOYSA-N |
| XLogP | 24.49 |
| TPSA | 324.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 51 |
| Heavy Atoms | 172 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2515.66 |
| LogP ≤ 5 | 24.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 37 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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