2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylquinolin-8-yl)oxyhexan-2-one;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methyl-2-quinolin-8-yloxypropanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-4-ylacetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide

C315H380N40O46S3 — CID 161438880

IUPAC2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylquinolin-8-yl)oxyhexan-2-one;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methyl-2-quinolin-8-yloxypropanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-4-ylacetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide
SMILESCC(C)(Oc1cccc2cccnc12)C(=O)NCC(O)CN1CCc2ccccc2C1.CS(=O)(=O)Nc1ccccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.CS(=O)(=O)c1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1.CS(=O)(=O)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.Cn1cnc2cc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)ccc21.Cn1nccc1-c1cccc(CC(=O)NCC(O)CN2CCc3ccccc3C2)c1.O=C(CC1CCCCC1)NC[C@H](O)CN1CCc2ccccc2C1.O=C(CCC(O)CN1CCc2ccccc2C1)COc1cccc2ccc(N3CCOCC3)nc12.O=C(COc1cccc2cccnc12)NC[C@@H](O)CN1CCc2ccccc2C1.O=C(COc1cccc2cccnc12)NC[C@H](O)CN1CCc2ccccc2C1.O=C(COc1ccccc1-c1ccn[nH]1)NCC(O)CN1CCc2ccccc2C1.O=C(COc1ccccc1N1CCOCC1)NCC(O)CN1CCc2ccccc2C1.O=C(Cc1ccccc1)NC[C@H](O)CN1CCc2ccccc2C1.O=C(Cc1ccncc1)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C28H33N3O4.C25H29N3O3.C24H28N4O2.C24H31N3O4.C23H26N4O3.2C23H25N3O3.C22H26N4O3.C22H28N2O5S.2C21H26N2O5S.C20H30N2O2.C20H24N2O2.C19H23N3O2/c32-24(19-30-13-12-21-4-1-2-5-23(21)18-30)9-10-25(33)20-35-26-7-3-6-22-8-11-27(29-28(22)26)31-14-16-34-17-15-31;1-25(2,31-22-11-5-9-19-10-6-13-26-23(19)22)24(30)27-15-21(29)17-28-14-12-18-7-3-4-8-20(18)16-28;1-27-23(9-11-26-27)20-8-4-5-18(13-20)14-24(30)25-15-22(29)17-28-12-10-19-6-2-3-7-21(19)16-28;28-21(17-26-10-9-19-5-1-2-6-20(19)16-26)15-25-24(29)18-31-23-8-4-3-7-22(23)27-11-13-30-14-12-27;28-19(15-27-12-10-17-5-1-2-6-18(17)14-27)13-24-23(29)16-30-22-8-4-3-7-20(22)21-9-11-25-26-21;2*27-20(15-26-12-10-17-5-1-2-6-19(17)14-26)13-25-22(28)16-29-21-9-3-7-18-8-4-11-24-23(18)21;1-25-15-24-20-10-19(6-7-21(20)25)29-14-22(28)23-11-18(27)13-26-9-8-16-4-2-3-5-17(16)12-26;1-30(27,28)23-21-8-4-5-9-22(21)29-16-20(26)11-10-19(25)15-24-13-12-17-6-2-3-7-18(17)14-24;1-29(26,27)20-8-4-7-19(11-20)28-15-21(25)22-12-18(24)14-23-10-9-16-5-2-3-6-17(16)13-23;1-29(26,27)20-8-6-19(7-9-20)28-15-21(25)22-12-18(24)14-23-11-10-16-4-2-3-5-17(16)13-23;2*23-19(13-21-20(24)12-16-6-2-1-3-7-16)15-22-11-10-17-8-4-5-9-18(17)14-22;23-18(12-21-19(24)11-15-5-8-20-9-6-15)14-22-10-7-16-3-1-2-4-17(16)13-22/h1-8,11,24,32H,9-10,12-20H2;3-11,13,21,29H,12,14-17H2,1-2H3,(H,27,30);2-9,11,13,22,29H,10,12,14-17H2,1H3,(H,25,30);1-8,21,28H,9-18H2,(H,25,29);1-9,11,19,28H,10,12-16H2,(H,24,29)(H,25,26);2*1-9,11,20,27H,10,12-16H2,(H,25,28);2-7,10,15,18,27H,8-9,11-14H2,1H3,(H,23,28);2-9,19,23,25H,10-16H2,1H3;2-8,11,18,24H,9-10,12-15H2,1H3,(H,22,25);2-9,18,24H,10-15H2,1H3,(H,22,25);4-5,8-9,16,19,23H,1-3,6-7,10-15H2,(H,21,24);1-9,19,23H,10-15H2,(H,21,24);1-6,8-9,18,23H,7,10-14H2,(H,21,24)/t;;;;;2*20-;;;;;2*19-;/m.....10....00./s1
InChIKeyVYZVOOJUGQDJHT-UCDPENEXSA-N
MW5558.94 g/mol
LogP27.16
Rot. Bonds104

About 2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylquinolin-8-yl)oxyhexan-2-one;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methyl-2-quinolin-8-yloxypropanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-4-ylacetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide

2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylquinolin-8-yl)oxyhexan-2-one;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methyl-2-quinolin-8-yloxypropanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-4-ylacetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide (PubChem CID 161438880) has the molecular formula C315H380N40O46S3 and a molecular weight of 5558.94 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylquinolin-8-yl)oxyhexan-2-one;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methyl-2-quinolin-8-yloxypropanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-4-ylacetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylquinolin-8-yl)oxyhexan-2-one;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methyl-2-quinolin-8-yloxypropanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-4-ylacetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide
PubChem CID161438880
Molecular FormulaC315H380N40O46S3
Molecular Weight5558.94 g/mol
Exact Mass5554.78
IUPAC Name2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylquinolin-8-yl)oxyhexan-2-one;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methyl-2-quinolin-8-yloxypropanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-4-ylacetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide
SMILESCC(C)(Oc1cccc2cccnc12)C(=O)NCC(O)CN1CCc2ccccc2C1.CS(=O)(=O)Nc1ccccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.CS(=O)(=O)c1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1.CS(=O)(=O)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.Cn1cnc2cc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)ccc21.Cn1nccc1-c1cccc(CC(=O)NCC(O)CN2CCc3ccccc3C2)c1.O=C(CC1CCCCC1)NC[C@H](O)CN1CCc2ccccc2C1.O=C(CCC(O)CN1CCc2ccccc2C1)COc1cccc2ccc(N3CCOCC3)nc12.O=C(COc1cccc2cccnc12)NC[C@@H](O)CN1CCc2ccccc2C1.O=C(COc1cccc2cccnc12)NC[C@H](O)CN1CCc2ccccc2C1.O=C(COc1ccccc1-c1ccn[nH]1)NCC(O)CN1CCc2ccccc2C1.O=C(COc1ccccc1N1CCOCC1)NCC(O)CN1CCc2ccccc2C1.O=C(Cc1ccccc1)NC[C@H](O)CN1CCc2ccccc2C1.O=C(Cc1ccncc1)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C28H33N3O4.C25H29N3O3.C24H28N4O2.C24H31N3O4.C23H26N4O3.2C23H25N3O3.C22H26N4O3.C22H28N2O5S.2C21H26N2O5S.C20H30N2O2.C20H24N2O2.C19H23N3O2/c32-24(19-30-13-12-21-4-1-2-5-23(21)18-30)9-10-25(33)20-35-26-7-3-6-22-8-11-27(29-28(22)26)31-14-16-34-17-15-31;1-25(2,31-22-11-5-9-19-10-6-13-26-23(19)22)24(30)27-15-21(29)17-28-14-12-18-7-3-4-8-20(18)16-28;1-27-23(9-11-26-27)20-8-4-5-18(13-20)14-24(30)25-15-22(29)17-28-12-10-19-6-2-3-7-21(19)16-28;28-21(17-26-10-9-19-5-1-2-6-20(19)16-26)15-25-24(29)18-31-23-8-4-3-7-22(23)27-11-13-30-14-12-27;28-19(15-27-12-10-17-5-1-2-6-18(17)14-27)13-24-23(29)16-30-22-8-4-3-7-20(22)21-9-11-25-26-21;2*27-20(15-26-12-10-17-5-1-2-6-19(17)14-26)13-25-22(28)16-29-21-9-3-7-18-8-4-11-24-23(18)21;1-25-15-24-20-10-19(6-7-21(20)25)29-14-22(28)23-11-18(27)13-26-9-8-16-4-2-3-5-17(16)12-26;1-30(27,28)23-21-8-4-5-9-22(21)29-16-20(26)11-10-19(25)15-24-13-12-17-6-2-3-7-18(17)14-24;1-29(26,27)20-8-4-7-19(11-20)28-15-21(25)22-12-18(24)14-23-10-9-16-5-2-3-6-17(16)13-23;1-29(26,27)20-8-6-19(7-9-20)28-15-21(25)22-12-18(24)14-23-11-10-16-4-2-3-5-17(16)13-23;2*23-19(13-21-20(24)12-16-6-2-1-3-7-16)15-22-11-10-17-8-4-5-9-18(17)14-22;23-18(12-21-19(24)11-15-5-8-20-9-6-15)14-22-10-7-16-3-1-2-4-17(16)13-22/h1-8,11,24,32H,9-10,12-20H2;3-11,13,21,29H,12,14-17H2,1-2H3,(H,27,30);2-9,11,13,22,29H,10,12,14-17H2,1H3,(H,25,30);1-8,21,28H,9-18H2,(H,25,29);1-9,11,19,28H,10,12-16H2,(H,24,29)(H,25,26);2*1-9,11,20,27H,10,12-16H2,(H,25,28);2-7,10,15,18,27H,8-9,11-14H2,1H3,(H,23,28);2-9,19,23,25H,10-16H2,1H3;2-8,11,18,24H,9-10,12-15H2,1H3,(H,22,25);2-9,18,24H,10-15H2,1H3,(H,22,25);4-5,8-9,16,19,23H,1-3,6-7,10-15H2,(H,21,24);1-9,19,23H,10-15H2,(H,21,24);1-6,8-9,18,23H,7,10-14H2,(H,21,24)/t;;;;;2*20-;;;;;2*19-;/m.....10....00./s1
InChIKeyVYZVOOJUGQDJHT-UCDPENEXSA-N
XLogP27.16
TPSA1072.38 Ų
H-Bond Donors28
H-Bond Acceptors72
Rotatable Bonds104
Heavy Atoms404
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005558.94
LogP ≤ 527.16
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1072

Analyze 2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylquinolin-8-yl)oxyhexan-2-one;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methyl-2-quinolin-8-yloxypropanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-4-ylacetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylquinolin-8-yl)oxyhexan-2-one;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methyl-2-quinolin-8-yloxypropanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-4-ylacetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide?
The IUPAC name of 2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylquinolin-8-yl)oxyhexan-2-one;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methyl-2-quinolin-8-yloxypropanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-4-ylacetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide (CID 161438880) is 2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylquinolin-8-yl)oxyhexan-2-one;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methyl-2-quinolin-8-yloxypropanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-4-ylacetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide.
What is the SMILES notation for 2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylquinolin-8-yl)oxyhexan-2-one;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methyl-2-quinolin-8-yloxypropanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-4-ylacetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide?
The canonical SMILES for 2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylquinolin-8-yl)oxyhexan-2-one;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methyl-2-quinolin-8-yloxypropanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-4-ylacetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide is CC(C)(Oc1cccc2cccnc12)C(=O)NCC(O)CN1CCc2ccccc2C1.CS(=O)(=O)Nc1ccccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.CS(=O)(=O)c1ccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)cc1.CS(=O)(=O)c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.Cn1cnc2cc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)ccc21.Cn1nccc1-c1cccc(CC(=O)NCC(O)CN2CCc3ccccc3C2)c1.O=C(CC1CCCCC1)NC[C@H](O)CN1CCc2ccccc2C1.O=C(CCC(O)CN1CCc2ccccc2C1)COc1cccc2ccc(N3CCOCC3)nc12.O=C(COc1cccc2cccnc12)NC[C@@H](O)CN1CCc2ccccc2C1.O=C(COc1cccc2cccnc12)NC[C@H](O)CN1CCc2ccccc2C1.O=C(COc1ccccc1-c1ccn[nH]1)NCC(O)CN1CCc2ccccc2C1.O=C(COc1ccccc1N1CCOCC1)NCC(O)CN1CCc2ccccc2C1.O=C(Cc1ccccc1)NC[C@H](O)CN1CCc2ccccc2C1.O=C(Cc1ccncc1)NCC(O)CN1CCc2ccccc2C1.
What is the InChIKey of 2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylquinolin-8-yl)oxyhexan-2-one;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methyl-2-quinolin-8-yloxypropanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-4-ylacetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide?
The InChIKey is VYZVOOJUGQDJHT-UCDPENEXSA-N. The full InChI is InChI=1S/C28H33N3O4.C25H29N3O3.C24H28N4O2.C24H31N3O4.C23H26N4O3.2C23H25N3O3.C22H26N4O3.C22H28N2O5S.2C21H26N2O5S.C20H30N2O2.C20H24N2O2.C19H23N3O2/c32-24(19-30-13-12-21-4-1-2-5-23(21)18-30)9-10-25(33)20-35-26-7-3-6-22-8-11-27(29-28(22)26)31-14-16-34-17-15-31;1-25(2,31-22-11-5-9-19-10-6-13-26-23(19)22)24(30)27-15-21(29)17-28-14-12-18-7-3-4-8-20(18)16-28;1-27-23(9-11-26-27)20-8-4-5-18(13-20)14-24(30)25-15-22(29)17-28-12-10-19-6-2-3-7-21(19)16-28;28-21(17-26-10-9-19-5-1-2-6-20(19)16-26)15-25-24(29)18-31-23-8-4-3-7-22(23)27-11-13-30-14-12-27;28-19(15-27-12-10-17-5-1-2-6-18(17)14-27)13-24-23(29)16-30-22-8-4-3-7-20(22)21-9-11-25-26-21;2*27-20(15-26-12-10-17-5-1-2-6-19(17)14-26)13-25-22(28)16-29-21-9-3-7-18-8-4-11-24-23(18)21;1-25-15-24-20-10-19(6-7-21(20)25)29-14-22(28)23-11-18(27)13-26-9-8-16-4-2-3-5-17(16)12-26;1-30(27,28)23-21-8-4-5-9-22(21)29-16-20(26)11-10-19(25)15-24-13-12-17-6-2-3-7-18(17)14-24;1-29(26,27)20-8-4-7-19(11-20)28-15-21(25)22-12-18(24)14-23-10-9-16-5-2-3-6-17(16)13-23;1-29(26,27)20-8-6-19(7-9-20)28-15-21(25)22-12-18(24)14-23-11-10-16-4-2-3-5-17(16)13-23;2*23-19(13-21-20(24)12-16-6-2-1-3-7-16)15-22-11-10-17-8-4-5-9-18(17)14-22;23-18(12-21-19(24)11-15-5-8-20-9-6-15)14-22-10-7-16-3-1-2-4-17(16)13-22/h1-8,11,24,32H,9-10,12-20H2;3-11,13,21,29H,12,14-17H2,1-2H3,(H,27,30);2-9,11,13,22,29H,10,12,14-17H2,1H3,(H,25,30);1-8,21,28H,9-18H2,(H,25,29);1-9,11,19,28H,10,12-16H2,(H,24,29)(H,25,26);2*1-9,11,20,27H,10,12-16H2,(H,25,28);2-7,10,15,18,27H,8-9,11-14H2,1H3,(H,23,28);2-9,19,23,25H,10-16H2,1H3;2-8,11,18,24H,9-10,12-15H2,1H3,(H,22,25);2-9,18,24H,10-15H2,1H3,(H,22,25);4-5,8-9,16,19,23H,1-3,6-7,10-15H2,(H,21,24);1-9,19,23H,10-15H2,(H,21,24);1-6,8-9,18,23H,7,10-14H2,(H,21,24)/t;;;;;2*20-;;;;;2*19-;/m.....10....00./s1.
What are the key properties of 2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylquinolin-8-yl)oxyhexan-2-one;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methyl-2-quinolin-8-yloxypropanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-4-ylacetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide?
2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylquinolin-8-yl)oxyhexan-2-one;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methyl-2-quinolin-8-yloxypropanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-4-ylacetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide has a molecular weight of 5558.94 g/mol, XLogP of 27.16, 104 rotatable bonds, 28 hydrogen bond donors, and 72 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylquinolin-8-yl)oxyhexan-2-one;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylbenzimidazol-5-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-(2-methylpyrazol-3-yl)phenyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-methyl-2-quinolin-8-yloxypropanamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(3-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(4-methylsulfonylphenoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(2-morpholin-4-ylphenoxy)acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phenylacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-pyrazol-5-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-pyridin-4-ylacetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide is sourced from PubChem (CID 161438880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).