C101H90Cl2F2N22O8 — CID 159011575
7-chloro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 159011575) has the molecular formula C101H90Cl2F2N22O8 and a molecular weight of 1848.88 g/mol. Its IUPAC name is 7-chloro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one.
| Compound Name | 7-chloro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one |
|---|---|
| PubChem CID | 159011575 |
| Molecular Formula | C101H90Cl2F2N22O8 |
| Molecular Weight | 1848.88 g/mol |
| Exact Mass | 1846.67 |
| IUPAC Name | 7-chloro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-fluoro-8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one |
| SMILES | CN1CCN(c2ccc3c(c2)ncc2c(=O)n(-c4ccc(Cl)cc4)[nH]c23)CC1.O=c1c2cnc3cc(Cl)c(N4CCOCC4)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(F)c(N4CCOCC4)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(N4CCNCC4)c(F)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3ccc(N4CCOCC4)cc3c2[nH]n1-c1ccccc1 |
| InChI | InChI=1S/C21H20ClN5O.C20H17ClN4O2.C20H18FN5O.C20H17FN4O2.C20H18N4O2/c1-25-8-10-26(11-9-25)16-6-7-17-19(12-16)23-13-18-20(17)24-27(21(18)28)15-4-2-14(22)3-5-15;21-16-11-17-14(10-18(16)24-6-8-27-9-7-24)19-15(12-22-17)20(26)25(23-19)13-4-2-1-3-5-13;21-16-10-14-17(11-18(16)25-8-6-22-7-9-25)23-12-15-19(14)24-26(20(15)27)13-4-2-1-3-5-13;21-16-11-17-14(10-18(16)24-6-8-27-9-7-24)19-15(12-22-17)20(26)25(23-19)13-4-2-1-3-5-13;25-20-17-13-21-18-7-6-15(23-8-10-26-11-9-23)12-16(18)19(17)22-24(20)14-4-2-1-3-5-14/h2-7,12-13,24H,8-11H2,1H3;1-5,10-12,23H,6-9H2;1-5,10-12,22,24H,6-9H2;1-5,10-12,23H,6-9H2;1-7,12-13,22H,8-11H2 |
| InChIKey | QOHFBJFCZNJELH-UHFFFAOYSA-N |
| XLogP | 14.59 |
| TPSA | 312.56 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 135 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1848.88 |
| LogP ≤ 5 | 14.59 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': 'het_65_B(7)', 'substructure': 'N/A'} |
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