C151H129N15O14 — CID 159030153
N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-8-yl-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(4-isoquinolin-8-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide (PubChem CID 159030153) has the molecular formula C151H129N15O14 and a molecular weight of 2377.78 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-8-yl-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(4-isoquinolin-8-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide.
| Compound Name | N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-8-yl-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(4-isoquinolin-8-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide |
|---|---|
| PubChem CID | 159030153 |
| Molecular Formula | C151H129N15O14 |
| Molecular Weight | 2377.78 g/mol |
| Exact Mass | 2375.98 |
| IUPAC Name | N-[1-(4-hydroxyphenyl)-4-isoquinolin-5-yl-3-oxobutan-2-yl]benzamide;N-[1-(4-hydroxyphenyl)-4-isoquinolin-8-yl-3-oxobutan-2-yl]benzamide;N-[4-(1H-indazol-4-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-[4-(1H-indazol-7-yl)-3-oxo-1-phenylbutan-2-yl]benzamide;N-(4-isoquinolin-8-yl-3-oxo-1-phenylbutan-2-yl)benzamide;N-(3-oxo-1-phenyl-4-phthalazin-5-ylbutan-2-yl)benzamide |
| SMILES | O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2ccncc12)c1ccccc1.O=C(NC(Cc1ccc(O)cc1)C(=O)Cc1cccc2cnccc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2[nH]ncc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2ccncc12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cn[nH]c12)c1ccccc1.O=C(NC(Cc1ccccc1)C(=O)Cc1cccc2cnncc12)c1ccccc1 |
| InChI | InChI=1S/2C26H22N2O3.C26H22N2O2.C25H21N3O2.2C24H21N3O2/c29-22-11-9-18(10-12-22)15-24(28-26(31)20-5-2-1-3-6-20)25(30)16-21-8-4-7-19-13-14-27-17-23(19)21;29-22-11-9-18(10-12-22)15-24(28-26(31)19-5-2-1-3-6-19)25(30)16-20-7-4-8-21-17-27-14-13-23(20)21;29-25(17-22-13-7-12-20-14-15-27-18-23(20)22)24(16-19-8-3-1-4-9-19)28-26(30)21-10-5-2-6-11-21;29-24(15-20-12-7-13-21-16-26-27-17-22(20)21)23(14-18-8-3-1-4-9-18)28-25(30)19-10-5-2-6-11-19;28-23(15-19-12-7-13-21-20(19)16-25-27-21)22(14-17-8-3-1-4-9-17)26-24(29)18-10-5-2-6-11-18;28-22(15-19-12-7-13-20-16-25-27-23(19)20)21(14-17-8-3-1-4-9-17)26-24(29)18-10-5-2-6-11-18/h2*1-14,17,24,29H,15-16H2,(H,28,31);1-15,18,24H,16-17H2,(H,28,30);1-13,16-17,23H,14-15H2,(H,28,30);1-13,16,22H,14-15H2,(H,25,27)(H,26,29);1-13,16,21H,14-15H2,(H,25,27)(H,26,29) |
| InChIKey | JUTZSYCSQZGZGE-UHFFFAOYSA-N |
| XLogP | 23.79 |
| TPSA | 439.29 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 180 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2377.78 |
| LogP ≤ 5 | 23.79 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 21 |