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;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylsulfonylphenoxy)hexan-2-one;N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;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-dimethylindazol-4-yl)oxyacetamide;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-methyl-3,4-dihydro-2H-quinolin-5-yl)oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide

C361H442F2N52O57S3 — CID 158291810

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;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylsulfonylphenoxy)hexan-2-one;N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;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-dimethylindazol-4-yl)oxyacetamide;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-methyl-3,4-dihydro-2H-quinolin-5-yl)oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethoxy)acetamide;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.CC(Oc1ccccc1NS(C)(=O)=O)C(=O)CCC(O)CN1CCc2ccccc2C1.CN(C)c1cncc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.CN(c1ccccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1)S(C)(=O)=O.CN1CCCc2c(OCC(=O)NCC(O)CN3CCc4ccccc4C3)cccc21.Cc1cn(C)c2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12.Cc1nn(C)c2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12.Cn1cnc(-c2ccccc2OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.Cn1cncc1-c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.Nc1ncccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.O=C(CCC(O)CN1CCc2ccccc2C1)COc1ccccc1S(=O)(=O)N1CCOCC1.O=C(COCc1cccnc1)NCC(O)CN1CCc2ccccc2C1.O=C(COc1cccc2c1CCCN2)NCC(O)CN1CCc2ccccc2C1.O=C(COc1cccc2cccnc12)NCC(O)CN1Cc2ccccc2C(F)(F)C1.O=C(COc1cccc2cnncc12)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C25H32N2O6S.2C24H28N4O3.C24H29N3O3.C24H31N3O3.C23H23F2N3O3.C23H28N4O3.C23H29N3O3.2C23H30N2O5S.C22H24N4O3.C22H27N3O4.C21H26N4O4.C21H28N4O3.C20H25N3O3.C19H24N4O3/c28-22(18-26-12-11-20-5-1-2-6-21(20)17-26)9-10-23(29)19-33-24-7-3-4-8-25(24)34(30,31)27-13-15-32-16-14-27;1-27-17-25-13-22(27)21-8-4-5-9-23(21)31-16-24(30)26-12-20(29)15-28-11-10-18-6-2-3-7-19(18)14-28;1-27-15-22(26-17-27)21-8-4-5-9-23(21)31-16-24(30)25-12-20(29)14-28-11-10-18-6-2-3-7-19(18)13-28;1-17-13-26(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;1-26-12-5-8-21-22(26)9-4-10-23(21)30-17-24(29)25-14-20(28)16-27-13-11-18-6-2-3-7-19(18)15-27;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;1-16-23-20(26(2)25-16)8-5-9-21(23)30-15-22(29)24-12-19(28)14-27-11-10-17-6-3-4-7-18(17)13-27;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;1-24(31(2,28)29)22-9-5-6-10-23(22)30-17-21(27)12-11-20(26)16-25-14-13-18-7-3-4-8-19(18)15-25;1-17(30-23-10-6-5-9-21(23)24-31(2,28)29)22(27)12-11-20(26)16-25-14-13-18-7-3-4-8-19(18)15-25;27-19(14-26-9-8-16-4-1-2-5-18(16)13-26)11-23-22(28)15-29-21-7-3-6-17-10-24-25-12-20(17)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;24-19(13-23-9-7-17-5-1-2-6-18(17)12-23)11-22-20(25)15-26-14-16-4-3-8-21-10-16;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/h1-8,22,28H,9-19H2;2-9,13,17,20,29H,10-12,14-16H2,1H3,(H,26,30);2-9,15,17,20,29H,10-14,16H2,1H3,(H,25,30);3-9,13,20,28H,10-12,14-16H2,1-2H3,(H,25,29);2-4,6-7,9-10,20,28H,5,8,11-17H2,1H3,(H,25,29);1-10,18,29H,11-15H2,(H,27,30);3-9,19,28H,10-15H2,1-2H3,(H,24,29);1-3,5-6,8-9,19,24,27H,4,7,10-16H2,(H,25,28);3-10,20,26H,11-17H2,1-2H3;3-10,17,20,24,26H,11-16H2,1-2H3;1-7,10,12,19,27H,8-9,11,13-15H2,(H,23,28);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);1-6,8,10,19,24H,7,9,11-15H2,(H,22,25);1-6,8,16,24H,7,9-13H2,(H2,20,21)(H,22,25)
InChIKeyGLLHDXWLCOWYPM-UHFFFAOYSA-N
MW6556.01 g/mol
LogP28.98
Rot. Bonds128

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;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylsulfonylphenoxy)hexan-2-one;N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;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-dimethylindazol-4-yl)oxyacetamide;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-methyl-3,4-dihydro-2H-quinolin-5-yl)oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethoxy)acetamide;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;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylsulfonylphenoxy)hexan-2-one;N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;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-dimethylindazol-4-yl)oxyacetamide;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-methyl-3,4-dihydro-2H-quinolin-5-yl)oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide (PubChem CID 158291810) has the molecular formula C361H442F2N52O57S3 and a molecular weight of 6556.01 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;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylsulfonylphenoxy)hexan-2-one;N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;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-dimethylindazol-4-yl)oxyacetamide;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-methyl-3,4-dihydro-2H-quinolin-5-yl)oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide.

Molecular Properties

Compound Name2-[(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;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylsulfonylphenoxy)hexan-2-one;N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;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-dimethylindazol-4-yl)oxyacetamide;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-methyl-3,4-dihydro-2H-quinolin-5-yl)oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide
PubChem CID158291810
Molecular FormulaC361H442F2N52O57S3
Molecular Weight6556.01 g/mol
Exact Mass6551.24
IUPAC Name2-[(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;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylsulfonylphenoxy)hexan-2-one;N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;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-dimethylindazol-4-yl)oxyacetamide;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-methyl-3,4-dihydro-2H-quinolin-5-yl)oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethoxy)acetamide;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.CC(Oc1ccccc1NS(C)(=O)=O)C(=O)CCC(O)CN1CCc2ccccc2C1.CN(C)c1cncc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.CN(c1ccccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1)S(C)(=O)=O.CN1CCCc2c(OCC(=O)NCC(O)CN3CCc4ccccc4C3)cccc21.Cc1cn(C)c2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12.Cc1nn(C)c2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12.Cn1cnc(-c2ccccc2OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.Cn1cncc1-c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.Nc1ncccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.O=C(CCC(O)CN1CCc2ccccc2C1)COc1ccccc1S(=O)(=O)N1CCOCC1.O=C(COCc1cccnc1)NCC(O)CN1CCc2ccccc2C1.O=C(COc1cccc2c1CCCN2)NCC(O)CN1CCc2ccccc2C1.O=C(COc1cccc2cccnc12)NCC(O)CN1Cc2ccccc2C(F)(F)C1.O=C(COc1cccc2cnncc12)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C25H32N2O6S.2C24H28N4O3.C24H29N3O3.C24H31N3O3.C23H23F2N3O3.C23H28N4O3.C23H29N3O3.2C23H30N2O5S.C22H24N4O3.C22H27N3O4.C21H26N4O4.C21H28N4O3.C20H25N3O3.C19H24N4O3/c28-22(18-26-12-11-20-5-1-2-6-21(20)17-26)9-10-23(29)19-33-24-7-3-4-8-25(24)34(30,31)27-13-15-32-16-14-27;1-27-17-25-13-22(27)21-8-4-5-9-23(21)31-16-24(30)26-12-20(29)15-28-11-10-18-6-2-3-7-19(18)14-28;1-27-15-22(26-17-27)21-8-4-5-9-23(21)31-16-24(30)25-12-20(29)14-28-11-10-18-6-2-3-7-19(18)13-28;1-17-13-26(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;1-26-12-5-8-21-22(26)9-4-10-23(21)30-17-24(29)25-14-20(28)16-27-13-11-18-6-2-3-7-19(18)15-27;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;1-16-23-20(26(2)25-16)8-5-9-21(23)30-15-22(29)24-12-19(28)14-27-11-10-17-6-3-4-7-18(17)13-27;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;1-24(31(2,28)29)22-9-5-6-10-23(22)30-17-21(27)12-11-20(26)16-25-14-13-18-7-3-4-8-19(18)15-25;1-17(30-23-10-6-5-9-21(23)24-31(2,28)29)22(27)12-11-20(26)16-25-14-13-18-7-3-4-8-19(18)15-25;27-19(14-26-9-8-16-4-1-2-5-18(16)13-26)11-23-22(28)15-29-21-7-3-6-17-10-24-25-12-20(17)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;24-19(13-23-9-7-17-5-1-2-6-18(17)12-23)11-22-20(25)15-26-14-16-4-3-8-21-10-16;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/h1-8,22,28H,9-19H2;2-9,13,17,20,29H,10-12,14-16H2,1H3,(H,26,30);2-9,15,17,20,29H,10-14,16H2,1H3,(H,25,30);3-9,13,20,28H,10-12,14-16H2,1-2H3,(H,25,29);2-4,6-7,9-10,20,28H,5,8,11-17H2,1H3,(H,25,29);1-10,18,29H,11-15H2,(H,27,30);3-9,19,28H,10-15H2,1-2H3,(H,24,29);1-3,5-6,8-9,19,24,27H,4,7,10-16H2,(H,25,28);3-10,20,26H,11-17H2,1-2H3;3-10,17,20,24,26H,11-16H2,1-2H3;1-7,10,12,19,27H,8-9,11,13-15H2,(H,23,28);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);1-6,8,10,19,24H,7,9,11-15H2,(H,22,25);1-6,8,16,24H,7,9-13H2,(H2,20,21)(H,22,25)
InChIKeyGLLHDXWLCOWYPM-UHFFFAOYSA-N
XLogP28.98
TPSA1335.08 Ų
H-Bond Donors33
H-Bond Acceptors92
Rotatable Bonds128
Heavy Atoms475
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006556.01
LogP ≤ 528.98
H-Bond Donors ≤ 533
H-Bond Acceptors ≤ 1092

Analyze 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;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylsulfonylphenoxy)hexan-2-one;N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;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-dimethylindazol-4-yl)oxyacetamide;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-methyl-3,4-dihydro-2H-quinolin-5-yl)oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide with MolForge

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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;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylsulfonylphenoxy)hexan-2-one;N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;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-dimethylindazol-4-yl)oxyacetamide;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-methyl-3,4-dihydro-2H-quinolin-5-yl)oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethoxy)acetamide;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;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylsulfonylphenoxy)hexan-2-one;N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;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-dimethylindazol-4-yl)oxyacetamide;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-methyl-3,4-dihydro-2H-quinolin-5-yl)oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide (CID 158291810) 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;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylsulfonylphenoxy)hexan-2-one;N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;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-dimethylindazol-4-yl)oxyacetamide;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-methyl-3,4-dihydro-2H-quinolin-5-yl)oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethoxy)acetamide;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;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylsulfonylphenoxy)hexan-2-one;N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;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-dimethylindazol-4-yl)oxyacetamide;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-methyl-3,4-dihydro-2H-quinolin-5-yl)oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethoxy)acetamide;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;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylsulfonylphenoxy)hexan-2-one;N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;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-dimethylindazol-4-yl)oxyacetamide;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-methyl-3,4-dihydro-2H-quinolin-5-yl)oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethoxy)acetamide;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.CC(Oc1ccccc1NS(C)(=O)=O)C(=O)CCC(O)CN1CCc2ccccc2C1.CN(C)c1cncc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.CN(c1ccccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1)S(C)(=O)=O.CN1CCCc2c(OCC(=O)NCC(O)CN3CCc4ccccc4C3)cccc21.Cc1cn(C)c2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12.Cc1nn(C)c2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12.Cn1cnc(-c2ccccc2OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.Cn1cncc1-c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.Nc1ncccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.O=C(CCC(O)CN1CCc2ccccc2C1)COc1ccccc1S(=O)(=O)N1CCOCC1.O=C(COCc1cccnc1)NCC(O)CN1CCc2ccccc2C1.O=C(COc1cccc2c1CCCN2)NCC(O)CN1CCc2ccccc2C1.O=C(COc1cccc2cccnc12)NCC(O)CN1Cc2ccccc2C(F)(F)C1.O=C(COc1cccc2cnncc12)NCC(O)CN1CCc2ccccc2C1.
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;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylsulfonylphenoxy)hexan-2-one;N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;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-dimethylindazol-4-yl)oxyacetamide;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-methyl-3,4-dihydro-2H-quinolin-5-yl)oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethoxy)acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide?
The InChIKey is GLLHDXWLCOWYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O6S.2C24H28N4O3.C24H29N3O3.C24H31N3O3.C23H23F2N3O3.C23H28N4O3.C23H29N3O3.2C23H30N2O5S.C22H24N4O3.C22H27N3O4.C21H26N4O4.C21H28N4O3.C20H25N3O3.C19H24N4O3/c28-22(18-26-12-11-20-5-1-2-6-21(20)17-26)9-10-23(29)19-33-24-7-3-4-8-25(24)34(30,31)27-13-15-32-16-14-27;1-27-17-25-13-22(27)21-8-4-5-9-23(21)31-16-24(30)26-12-20(29)15-28-11-10-18-6-2-3-7-19(18)14-28;1-27-15-22(26-17-27)21-8-4-5-9-23(21)31-16-24(30)25-12-20(29)14-28-11-10-18-6-2-3-7-19(18)13-28;1-17-13-26(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;1-26-12-5-8-21-22(26)9-4-10-23(21)30-17-24(29)25-14-20(28)16-27-13-11-18-6-2-3-7-19(18)15-27;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;1-16-23-20(26(2)25-16)8-5-9-21(23)30-15-22(29)24-12-19(28)14-27-11-10-17-6-3-4-7-18(17)13-27;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;1-24(31(2,28)29)22-9-5-6-10-23(22)30-17-21(27)12-11-20(26)16-25-14-13-18-7-3-4-8-19(18)15-25;1-17(30-23-10-6-5-9-21(23)24-31(2,28)29)22(27)12-11-20(26)16-25-14-13-18-7-3-4-8-19(18)15-25;27-19(14-26-9-8-16-4-1-2-5-18(16)13-26)11-23-22(28)15-29-21-7-3-6-17-10-24-25-12-20(17)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;24-19(13-23-9-7-17-5-1-2-6-18(17)12-23)11-22-20(25)15-26-14-16-4-3-8-21-10-16;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/h1-8,22,28H,9-19H2;2-9,13,17,20,29H,10-12,14-16H2,1H3,(H,26,30);2-9,15,17,20,29H,10-14,16H2,1H3,(H,25,30);3-9,13,20,28H,10-12,14-16H2,1-2H3,(H,25,29);2-4,6-7,9-10,20,28H,5,8,11-17H2,1H3,(H,25,29);1-10,18,29H,11-15H2,(H,27,30);3-9,19,28H,10-15H2,1-2H3,(H,24,29);1-3,5-6,8-9,19,24,27H,4,7,10-16H2,(H,25,28);3-10,20,26H,11-17H2,1-2H3;3-10,17,20,24,26H,11-16H2,1-2H3;1-7,10,12,19,27H,8-9,11,13-15H2,(H,23,28);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);1-6,8,10,19,24H,7,9,11-15H2,(H,22,25);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;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylsulfonylphenoxy)hexan-2-one;N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;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-dimethylindazol-4-yl)oxyacetamide;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-methyl-3,4-dihydro-2H-quinolin-5-yl)oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethoxy)acetamide;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;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylsulfonylphenoxy)hexan-2-one;N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;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-dimethylindazol-4-yl)oxyacetamide;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-methyl-3,4-dihydro-2H-quinolin-5-yl)oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethoxy)acetamide;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 6556.01 g/mol, XLogP of 28.98, 128 rotatable bonds, 33 hydrogen bond donors, and 92 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;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-(2-morpholin-4-ylsulfonylphenoxy)hexan-2-one;N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;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-dimethylindazol-4-yl)oxyacetamide;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-methyl-3,4-dihydro-2H-quinolin-5-yl)oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(pyridin-3-ylmethoxy)acetamide;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 158291810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).