C104H97ClF2N22O7 — CID 159870029
7-chloro-2-phenyl-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(2-fluorophenyl)-8-morpholin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-8-piperidin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 159870029) has the molecular formula C104H97ClF2N22O7 and a molecular weight of 1840.52 g/mol. Its IUPAC name is 7-chloro-2-phenyl-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(2-fluorophenyl)-8-morpholin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-8-piperidin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one.
| Compound Name | 7-chloro-2-phenyl-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(2-fluorophenyl)-8-morpholin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-8-piperidin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one |
|---|---|
| PubChem CID | 159870029 |
| Molecular Formula | C104H97ClF2N22O7 |
| Molecular Weight | 1840.52 g/mol |
| Exact Mass | 1838.76 |
| IUPAC Name | 7-chloro-2-phenyl-8-piperazin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one;2-(2-fluorophenyl)-8-morpholin-4-yl-1H-pyrazolo[4,3-c]quinolin-3-one;8-fluoro-2-phenyl-7-(4-propan-2-ylpiperazin-1-yl)-1H-pyrazolo[4,3-c]quinolin-3-one;7-morpholin-4-yl-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one;2-phenyl-8-piperidin-1-yl-1H-pyrazolo[4,3-c]quinolin-3-one |
| SMILES | CC(C)N1CCN(c2cc3ncc4c(=O)n(-c5ccccc5)[nH]c4c3cc2F)CC1.O=c1c2cnc3cc(Cl)c(N4CCNCC4)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3cc(N4CCOCC4)ccc3c2[nH]n1-c1ccccc1.O=c1c2cnc3ccc(N4CCCCC4)cc3c2[nH]n1-c1ccccc1.O=c1c2cnc3ccc(N4CCOCC4)cc3c2[nH]n1-c1ccccc1F |
| InChI | InChI=1S/C23H24FN5O.C21H20N4O.C20H18ClN5O.C20H17FN4O2.C20H18N4O2/c1-15(2)27-8-10-28(11-9-27)21-13-20-17(12-19(21)24)22-18(14-25-20)23(30)29(26-22)16-6-4-3-5-7-16;26-21-18-14-22-19-10-9-16(24-11-5-2-6-12-24)13-17(19)20(18)23-25(21)15-7-3-1-4-8-15;21-16-11-17-14(10-18(16)25-8-6-22-7-9-25)19-15(12-23-17)20(27)26(24-19)13-4-2-1-3-5-13;21-16-3-1-2-4-18(16)25-20(26)15-12-22-17-6-5-13(11-14(17)19(15)23-25)24-7-9-27-10-8-24;25-20-17-13-21-18-12-15(23-8-10-26-11-9-23)6-7-16(18)19(17)22-24(20)14-4-2-1-3-5-14/h3-7,12-15,26H,8-11H2,1-2H3;1,3-4,7-10,13-14,23H,2,5-6,11-12H2;1-5,10-12,22,24H,6-9H2;1-6,11-12,23H,7-10H2;1-7,12-13,22H,8-11H2 |
| InChIKey | LMEQFUZGXCPRFI-UHFFFAOYSA-N |
| XLogP | 15.87 |
| TPSA | 303.33 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 136 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1840.52 |
| LogP ≤ 5 | 15.87 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': 'het_65_B(7)', 'substructure': 'N/A'} |
|---|