C219H186F5N25O19 — CID 167665733
N-[1-[[4-(1,1-difluoroethoxy)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;bis(3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-[2-(4-methylphenyl)ethylamino]-1-oxopropan-2-yl]benzamide);3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(4-phenylphenyl)methylamino]propan-2-yl]benzamide;3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide (PubChem CID 167665733) has the molecular formula C219H186F5N25O19 and a molecular weight of 3567.04 g/mol. Its IUPAC name is N-[1-[[4-(1,1-difluoroethoxy)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;bis(3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-[2-(4-methylphenyl)ethylamino]-1-oxopropan-2-yl]benzamide);3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(4-phenylphenyl)methylamino]propan-2-yl]benzamide;3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide.
| Compound Name | N-[1-[[4-(1,1-difluoroethoxy)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;bis(3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-[2-(4-methylphenyl)ethylamino]-1-oxopropan-2-yl]benzamide);3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(4-phenylphenyl)methylamino]propan-2-yl]benzamide;3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide |
|---|---|
| PubChem CID | 167665733 |
| Molecular Formula | C219H186F5N25O19 |
| Molecular Weight | 3567.04 g/mol |
| Exact Mass | 3564.43 |
| IUPAC Name | N-[1-[[4-(1,1-difluoroethoxy)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;bis(3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-[2-(4-methylphenyl)ethylamino]-1-oxopropan-2-yl]benzamide);3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(4-phenylphenyl)methylamino]propan-2-yl]benzamide;3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide |
| SMILES | CC(F)(F)Oc1ccc(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)cc1.CN(C)c1ccc(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)cc1.Cc1ccc(CCNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)cc1.Cc1ccc(CCNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)cc1.O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(-c2ccccc2)cc1)c1cccc(-c2cc(O)c3ncccc3c2)c1.O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1C(F)(F)F)c1cccc(-c2cc(O)c3ncccc3c2)c1 |
| InChI | InChI=1S/C40H32N4O3.C36H30F2N4O4.C36H33N5O3.2C36H32N4O3.C35H27F3N4O3/c45-37-23-32(21-30-12-7-19-41-38(30)37)29-10-6-11-31(20-29)39(46)44-36(22-33-25-42-35-14-5-4-13-34(33)35)40(47)43-24-26-15-17-28(18-16-26)27-8-2-1-3-9-27;1-36(37,38)46-28-13-11-22(12-14-28)20-41-35(45)31(18-27-21-40-30-10-3-2-9-29(27)30)42-34(44)25-7-4-6-23(16-25)26-17-24-8-5-15-39-33(24)32(43)19-26;1-41(2)29-14-12-23(13-15-29)21-39-36(44)32(19-28-22-38-31-11-4-3-10-30(28)31)40-35(43)26-8-5-7-24(17-26)27-18-25-9-6-16-37-34(25)33(42)20-27;2*1-23-11-13-24(14-12-23)15-17-38-36(43)32(20-29-22-39-31-10-3-2-9-30(29)31)40-35(42)27-7-4-6-25(18-27)28-19-26-8-5-16-37-34(26)33(41)21-28;36-35(37,38)28-12-3-1-7-24(28)19-41-34(45)30(17-26-20-40-29-13-4-2-11-27(26)29)42-33(44)23-9-5-8-21(15-23)25-16-22-10-6-14-39-32(22)31(43)18-25/h1-21,23,25,36,42,45H,22,24H2,(H,43,47)(H,44,46);2-17,19,21,31,40,43H,18,20H2,1H3,(H,41,45)(H,42,44);3-18,20,22,32,38,42H,19,21H2,1-2H3,(H,39,44)(H,40,43);2*2-14,16,18-19,21-22,32,39,41H,15,17,20H2,1H3,(H,38,43)(H,40,42);1-16,18,20,30,40,43H,17,19H2,(H,41,45)(H,42,44) |
| InChIKey | SPORCSPCVJRTOY-UHFFFAOYSA-N |
| XLogP | 38.92 |
| TPSA | 655.13 Ų |
| H-Bond Donors | 24 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 54 |
| Heavy Atoms | 268 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3567.04 |
| LogP ≤ 5 | 38.92 |
| H-Bond Donors ≤ 5 | 24 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'} |
|---|