2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide
C174H213F2N27O28S — CID 159525440
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide
SMILESCC(=O)Nc1cncc(OCC(=O)CCC(O)CN2CCc3ccccc3C2)c1.CC(=O)Nc1ncccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.CN(C)c1cncc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.CS(=O)(=O)Nc1cccnc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.Cc1cn(C)c2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12.Nc1ncccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.O=C(COc1cccc2c1CCCN2)NCC(O)CN1CCc2ccccc2C1.O=C(COc1cccc2cccnc12)NCC(O)CN1Cc2ccccc2C(F)(F)C1
InChIInChI=1S/C24H29N3O3.C23H23F2N3O3.C23H29N3O3.C22H27N3O4.C21H26N4O4.C21H28N4O3.C21H27N3O5S.C19H24N4O3/c1-17-13-26(2)21-8-5-9-22(24(17)21)30-16-23(29)25-12-20(28)15-27-11-10-18-6-3-4-7-19(18)14-27;24-23(25)15-28(12-17-5-1-2-8-19(17)23)13-18(29)11-27-21(30)14-31-20-9-3-6-16-7-4-10-26-22(16)20;27-19(15-26-12-10-17-5-1-2-6-18(17)14-26)13-25-23(28)16-29-22-9-3-8-21-20(22)7-4-11-24-21;1-16(26)24-19-10-22(12-23-11-19)29-15-21(28)7-6-20(27)14-25-9-8-17-4-2-3-5-18(17)13-25;1-15(26)24-21-19(7-4-9-22-21)29-14-20(28)23-11-18(27)13-25-10-8-16-5-2-3-6-17(16)12-25;1-24(2)18-9-20(12-22-10-18)28-15-21(27)23-11-19(26)14-25-8-7-16-5-3-4-6-17(16)13-25;1-30(27,28)23-20-7-4-11-22-21(20)29-15-19(26)9-8-18(25)14-24-12-10-16-5-2-3-6-17(16)13-24;20-19-17(6-3-8-21-19)26-13-18(25)22-10-16(24)12-23-9-7-14-4-1-2-5-15(14)11-23/h3-9,13,20,28H,10-12,14-16H2,1-2H3,(H,25,29);1-10,18,29H,11-15H2,(H,27,30);1-3,5-6,8-9,19,24,27H,4,7,10-16H2,(H,25,28);2-5,10-12,20,27H,6-9,13-15H2,1H3,(H,24,26);2-7,9,18,27H,8,10-14H2,1H3,(H,23,28)(H,22,24,26);3-6,9-10,12,19,26H,7-8,11,13-15H2,1-2H3,(H,23,27);2-7,11,18,23,25H,8-10,12-15H2,1H3;1-6,8,16,24H,7,9-13H2,(H2,20,21)(H,22,25)
InChIKeyMCHZNXMEKXGERX-UHFFFAOYSA-N
MW3200.84 g/mol
LogP13.44
Rot. Bonds63
About 2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide
2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide (PubChem CID 159525440) has the molecular formula C174H213F2N27O28S and a molecular weight of 3200.84 g/mol. Its IUPAC name is 2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide.
Molecular Properties
| Compound Name | 2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide |
|---|---|
| PubChem CID | 159525440 |
| Molecular Formula | C174H213F2N27O28S |
| Molecular Weight | 3200.84 g/mol |
| Exact Mass | 3198.58 |
| IUPAC Name | 2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide |
| SMILES | CC(=O)Nc1cncc(OCC(=O)CCC(O)CN2CCc3ccccc3C2)c1.CC(=O)Nc1ncccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.CN(C)c1cncc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.CS(=O)(=O)Nc1cccnc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.Cc1cn(C)c2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12.Nc1ncccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.O=C(COc1cccc2c1CCCN2)NCC(O)CN1CCc2ccccc2C1.O=C(COc1cccc2cccnc12)NCC(O)CN1Cc2ccccc2C(F)(F)C1 |
| InChI | InChI=1S/C24H29N3O3.C23H23F2N3O3.C23H29N3O3.C22H27N3O4.C21H26N4O4.C21H28N4O3.C21H27N3O5S.C19H24N4O3/c1-17-13-26(2)21-8-5-9-22(24(17)21)30-16-23(29)25-12-20(28)15-27-11-10-18-6-3-4-7-19(18)14-27;24-23(25)15-28(12-17-5-1-2-8-19(17)23)13-18(29)11-27-21(30)14-31-20-9-3-6-16-7-4-10-26-22(16)20;27-19(15-26-12-10-17-5-1-2-6-18(17)14-26)13-25-23(28)16-29-22-9-3-8-21-20(22)7-4-11-24-21;1-16(26)24-19-10-22(12-23-11-19)29-15-21(28)7-6-20(27)14-25-9-8-17-4-2-3-5-18(17)13-25;1-15(26)24-21-19(7-4-9-22-21)29-14-20(28)23-11-18(27)13-25-10-8-16-5-2-3-6-17(16)12-25;1-24(2)18-9-20(12-22-10-18)28-15-21(27)23-11-19(26)14-25-8-7-16-5-3-4-6-17(16)13-25;1-30(27,28)23-20-7-4-11-22-21(20)29-15-19(26)9-8-18(25)14-24-12-10-16-5-2-3-6-17(16)13-24;20-19-17(6-3-8-21-19)26-13-18(25)22-10-16(24)12-23-9-7-14-4-1-2-5-15(14)11-23/h3-9,13,20,28H,10-12,14-16H2,1-2H3,(H,25,29);1-10,18,29H,11-15H2,(H,27,30);1-3,5-6,8-9,19,24,27H,4,7,10-16H2,(H,25,28);2-5,10-12,20,27H,6-9,13-15H2,1H3,(H,24,26);2-7,9,18,27H,8,10-14H2,1H3,(H,23,28)(H,22,24,26);3-6,9-10,12,19,26H,7-8,11,13-15H2,1-2H3,(H,23,27);2-7,11,18,23,25H,8-10,12-15H2,1H3;1-6,8,16,24H,7,9-13H2,(H2,20,21)(H,22,25) |
| InChIKey | MCHZNXMEKXGERX-UHFFFAOYSA-N |
| XLogP | 13.44 |
| TPSA | 698.27 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 46 |
| Rotatable Bonds | 63 |
| Heavy Atoms | 232 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3200.84 |
| LogP ≤ 5 | 13.44 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 46 |
Frequently Asked Questions
What is the IUPAC name of 2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide?
The IUPAC name of 2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide (CID 159525440) is 2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide.
What is the SMILES notation for 2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide?
The canonical SMILES for 2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide is CC(=O)Nc1cncc(OCC(=O)CCC(O)CN2CCc3ccccc3C2)c1.CC(=O)Nc1ncccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.CN(C)c1cncc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.CS(=O)(=O)Nc1cccnc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.Cc1cn(C)c2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12.Nc1ncccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.O=C(COc1cccc2c1CCCN2)NCC(O)CN1CCc2ccccc2C1.O=C(COc1cccc2cccnc12)NCC(O)CN1Cc2ccccc2C(F)(F)C1.
What is the InChIKey of 2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide?
The InChIKey is MCHZNXMEKXGERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3.C23H23F2N3O3.C23H29N3O3.C22H27N3O4.C21H26N4O4.C21H28N4O3.C21H27N3O5S.C19H24N4O3/c1-17-13-26(2)21-8-5-9-22(24(17)21)30-16-23(29)25-12-20(28)15-27-11-10-18-6-3-4-7-19(18)14-27;24-23(25)15-28(12-17-5-1-2-8-19(17)23)13-18(29)11-27-21(30)14-31-20-9-3-6-16-7-4-10-26-22(16)20;27-19(15-26-12-10-17-5-1-2-6-18(17)14-26)13-25-23(28)16-29-22-9-3-8-21-20(22)7-4-11-24-21;1-16(26)24-19-10-22(12-23-11-19)29-15-21(28)7-6-20(27)14-25-9-8-17-4-2-3-5-18(17)13-25;1-15(26)24-21-19(7-4-9-22-21)29-14-20(28)23-11-18(27)13-25-10-8-16-5-2-3-6-17(16)12-25;1-24(2)18-9-20(12-22-10-18)28-15-21(27)23-11-19(26)14-25-8-7-16-5-3-4-6-17(16)13-25;1-30(27,28)23-20-7-4-11-22-21(20)29-15-19(26)9-8-18(25)14-24-12-10-16-5-2-3-6-17(16)13-24;20-19-17(6-3-8-21-19)26-13-18(25)22-10-16(24)12-23-9-7-14-4-1-2-5-15(14)11-23/h3-9,13,20,28H,10-12,14-16H2,1-2H3,(H,25,29);1-10,18,29H,11-15H2,(H,27,30);1-3,5-6,8-9,19,24,27H,4,7,10-16H2,(H,25,28);2-5,10-12,20,27H,6-9,13-15H2,1H3,(H,24,26);2-7,9,18,27H,8,10-14H2,1H3,(H,23,28)(H,22,24,26);3-6,9-10,12,19,26H,7-8,11,13-15H2,1-2H3,(H,23,27);2-7,11,18,23,25H,8-10,12-15H2,1H3;1-6,8,16,24H,7,9-13H2,(H2,20,21)(H,22,25).
What are the key properties of 2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide?
2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide has a molecular weight of 3200.84 g/mol, XLogP of 13.44, 63 rotatable bonds, 19 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide is sourced from PubChem (CID 159525440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159525440 — identifiers, structure, computed properties (public domain)
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