3-[[4-[2-[acetyl(methyl)amino]ethyl]piperazin-1-yl]methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxynaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C312H361N39O37S — CID 159141819

IUPAC3-[[4-[2-[acetyl(methyl)amino]ethyl]piperazin-1-yl]methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxynaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC(=O)N(C)CCN1CCN(Cc2cccc(C(=O)NCC(O)CN3CCc4ccccc4C3)c2)CC1.CN1CCC(Cc2cccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2)CC1.COc1ccc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccc2c1.COc1ccc2oc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)cc2c1.Cn1cc(C(=O)CC[C@H](O)CN2CCc3ccccc3C2)c2ccccc21.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1c[nH]c2ccccc12.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1)CCCC2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1)CCO2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1)OCO2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc2[nH]cnc12.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc2c1OCCO2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cnc2ccccc2n1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1csc2ccccc12.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1n[nH]c2ccccc12
InChIInChI=1S/C29H41N5O3.C26H35N3O2.C24H26N2O3.C23H26N2O2.C23H28N2O2.C22H24N2O4.C21H22N4O2.C21H23N3O2.C21H24N2O4.C21H24N2O3.C21H22N2O2S.2C20H22N4O2.C20H22N2O4/c1-23(35)31(2)12-13-32-14-16-33(17-15-32)20-24-6-5-9-26(18-24)29(37)30-19-28(36)22-34-11-10-25-7-3-4-8-27(25)21-34;1-28-12-9-20(10-13-28)15-21-5-4-8-23(16-21)26(31)27-17-25(30)19-29-14-11-22-6-2-3-7-24(22)18-29;1-29-23-9-8-18-12-20(7-6-19(18)13-23)24(28)25-14-22(27)16-26-11-10-17-4-2-3-5-21(17)15-26;1-24-16-21(20-8-4-5-9-22(20)24)23(27)11-10-19(26)15-25-13-12-17-6-2-3-7-18(17)14-25;26-22(16-25-12-11-18-6-2-4-8-21(18)15-25)14-24-23(27)20-10-9-17-5-1-3-7-19(17)13-20;1-27-19-6-7-20-17(10-19)11-21(28-20)22(26)23-12-18(25)14-24-9-8-15-4-2-3-5-16(15)13-24;26-17(14-25-10-9-15-5-1-2-6-16(15)13-25)11-23-21(27)20-12-22-18-7-3-4-8-19(18)24-20;25-17(14-24-10-9-15-5-1-2-6-16(15)13-24)11-23-21(26)19-12-22-20-8-4-3-7-18(19)20;24-17(14-23-9-8-15-4-1-2-5-16(15)13-23)12-22-21(25)18-6-3-7-19-20(18)27-11-10-26-19;24-19(14-23-9-7-15-3-1-2-4-18(15)13-23)12-22-21(25)17-5-6-20-16(11-17)8-10-26-20;24-17(13-23-10-9-15-5-1-2-6-16(15)12-23)11-22-21(25)19-14-26-20-8-4-3-7-18(19)20;25-16(13-24-10-9-14-5-1-2-6-15(14)12-24)11-21-20(26)19-17-7-3-4-8-18(17)22-23-19;25-16(12-24-9-8-14-4-1-2-5-15(14)11-24)10-21-20(26)17-6-3-7-18-19(17)23-13-22-18;23-17(12-22-8-7-14-3-1-2-4-16(14)11-22)10-21-20(24)15-5-6-18-19(9-15)26-13-25-18/h3-9,18,28,36H,10-17,19-22H2,1-2H3,(H,30,37);2-8,16,20,25,30H,9-15,17-19H2,1H3,(H,27,31);2-9,12-13,22,27H,10-11,14-16H2,1H3,(H,25,28);2-9,16,19,26H,10-15H2,1H3;2,4,6,8-10,13,22,26H,1,3,5,7,11-12,14-16H2,(H,24,27);2-7,10-11,18,25H,8-9,12-14H2,1H3,(H,23,26);1-8,12,17,26H,9-11,13-14H2,(H,23,27);1-8,12,17,22,25H,9-11,13-14H2,(H,23,26);1-7,17,24H,8-14H2,(H,22,25);1-6,11,19,24H,7-10,12-14H2,(H,22,25);1-8,14,17,24H,9-13H2,(H,22,25);1-8,16,25H,9-13H2,(H,21,26)(H,22,23);1-7,13,16,25H,8-12H2,(H,21,26)(H,22,23);1-6,9,17,23H,7-8,10-13H2,(H,21,24)/t;25-;22-;19-;22-;18-;3*17-;19-;17-;2*16-;17-/m.0000000000000/s1
InChIKeyKIEILJWGXWWCDB-JNEPBOPSSA-N
MW5281.62 g/mol
LogP31.53
Rot. Bonds80

About 3-[[4-[2-[acetyl(methyl)amino]ethyl]piperazin-1-yl]methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxynaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

3-[[4-[2-[acetyl(methyl)amino]ethyl]piperazin-1-yl]methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxynaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 159141819) has the molecular formula C312H361N39O37S and a molecular weight of 5281.62 g/mol. Its IUPAC name is 3-[[4-[2-[acetyl(methyl)amino]ethyl]piperazin-1-yl]methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxynaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name3-[[4-[2-[acetyl(methyl)amino]ethyl]piperazin-1-yl]methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxynaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID159141819
Molecular FormulaC312H361N39O37S
Molecular Weight5281.62 g/mol
Exact Mass5277.73
IUPAC Name3-[[4-[2-[acetyl(methyl)amino]ethyl]piperazin-1-yl]methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxynaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC(=O)N(C)CCN1CCN(Cc2cccc(C(=O)NCC(O)CN3CCc4ccccc4C3)c2)CC1.CN1CCC(Cc2cccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2)CC1.COc1ccc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccc2c1.COc1ccc2oc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)cc2c1.Cn1cc(C(=O)CC[C@H](O)CN2CCc3ccccc3C2)c2ccccc21.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1c[nH]c2ccccc12.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1)CCCC2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1)CCO2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1)OCO2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc2[nH]cnc12.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc2c1OCCO2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cnc2ccccc2n1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1csc2ccccc12.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1n[nH]c2ccccc12
InChIInChI=1S/C29H41N5O3.C26H35N3O2.C24H26N2O3.C23H26N2O2.C23H28N2O2.C22H24N2O4.C21H22N4O2.C21H23N3O2.C21H24N2O4.C21H24N2O3.C21H22N2O2S.2C20H22N4O2.C20H22N2O4/c1-23(35)31(2)12-13-32-14-16-33(17-15-32)20-24-6-5-9-26(18-24)29(37)30-19-28(36)22-34-11-10-25-7-3-4-8-27(25)21-34;1-28-12-9-20(10-13-28)15-21-5-4-8-23(16-21)26(31)27-17-25(30)19-29-14-11-22-6-2-3-7-24(22)18-29;1-29-23-9-8-18-12-20(7-6-19(18)13-23)24(28)25-14-22(27)16-26-11-10-17-4-2-3-5-21(17)15-26;1-24-16-21(20-8-4-5-9-22(20)24)23(27)11-10-19(26)15-25-13-12-17-6-2-3-7-18(17)14-25;26-22(16-25-12-11-18-6-2-4-8-21(18)15-25)14-24-23(27)20-10-9-17-5-1-3-7-19(17)13-20;1-27-19-6-7-20-17(10-19)11-21(28-20)22(26)23-12-18(25)14-24-9-8-15-4-2-3-5-16(15)13-24;26-17(14-25-10-9-15-5-1-2-6-16(15)13-25)11-23-21(27)20-12-22-18-7-3-4-8-19(18)24-20;25-17(14-24-10-9-15-5-1-2-6-16(15)13-24)11-23-21(26)19-12-22-20-8-4-3-7-18(19)20;24-17(14-23-9-8-15-4-1-2-5-16(15)13-23)12-22-21(25)18-6-3-7-19-20(18)27-11-10-26-19;24-19(14-23-9-7-15-3-1-2-4-18(15)13-23)12-22-21(25)17-5-6-20-16(11-17)8-10-26-20;24-17(13-23-10-9-15-5-1-2-6-16(15)12-23)11-22-21(25)19-14-26-20-8-4-3-7-18(19)20;25-16(13-24-10-9-14-5-1-2-6-15(14)12-24)11-21-20(26)19-17-7-3-4-8-18(17)22-23-19;25-16(12-24-9-8-14-4-1-2-5-15(14)11-24)10-21-20(26)17-6-3-7-18-19(17)23-13-22-18;23-17(12-22-8-7-14-3-1-2-4-16(14)11-22)10-21-20(24)15-5-6-18-19(9-15)26-13-25-18/h3-9,18,28,36H,10-17,19-22H2,1-2H3,(H,30,37);2-8,16,20,25,30H,9-15,17-19H2,1H3,(H,27,31);2-9,12-13,22,27H,10-11,14-16H2,1H3,(H,25,28);2-9,16,19,26H,10-15H2,1H3;2,4,6,8-10,13,22,26H,1,3,5,7,11-12,14-16H2,(H,24,27);2-7,10-11,18,25H,8-9,12-14H2,1H3,(H,23,26);1-8,12,17,26H,9-11,13-14H2,(H,23,27);1-8,12,17,22,25H,9-11,13-14H2,(H,23,26);1-7,17,24H,8-14H2,(H,22,25);1-6,11,19,24H,7-10,12-14H2,(H,22,25);1-8,14,17,24H,9-13H2,(H,22,25);1-8,16,25H,9-13H2,(H,21,26)(H,22,23);1-7,13,16,25H,8-12H2,(H,21,26)(H,22,23);1-6,9,17,23H,7-8,10-13H2,(H,21,24)/t;25-;22-;19-;22-;18-;3*17-;19-;17-;2*16-;17-/m.0000000000000/s1
InChIKeyKIEILJWGXWWCDB-JNEPBOPSSA-N
XLogP31.53
TPSA935.59 Ų
H-Bond Donors30
H-Bond Acceptors60
Rotatable Bonds80
Heavy Atoms389
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005281.62
LogP ≤ 531.53
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1060

Analyze 3-[[4-[2-[acetyl(methyl)amino]ethyl]piperazin-1-yl]methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxynaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-[acetyl(methyl)amino]ethyl]piperazin-1-yl]methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxynaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 3-[[4-[2-[acetyl(methyl)amino]ethyl]piperazin-1-yl]methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxynaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 159141819) is 3-[[4-[2-[acetyl(methyl)amino]ethyl]piperazin-1-yl]methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxynaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 3-[[4-[2-[acetyl(methyl)amino]ethyl]piperazin-1-yl]methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxynaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 3-[[4-[2-[acetyl(methyl)amino]ethyl]piperazin-1-yl]methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxynaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CC(=O)N(C)CCN1CCN(Cc2cccc(C(=O)NCC(O)CN3CCc4ccccc4C3)c2)CC1.CN1CCC(Cc2cccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2)CC1.COc1ccc2cc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)ccc2c1.COc1ccc2oc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)cc2c1.Cn1cc(C(=O)CC[C@H](O)CN2CCc3ccccc3C2)c2ccccc21.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1c[nH]c2ccccc12.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1)CCCC2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1)CCO2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1ccc2c(c1)OCO2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc2[nH]cnc12.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cccc2c1OCCO2.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cnc2ccccc2n1.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1csc2ccccc12.O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1n[nH]c2ccccc12.
What is the InChIKey of 3-[[4-[2-[acetyl(methyl)amino]ethyl]piperazin-1-yl]methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxynaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is KIEILJWGXWWCDB-JNEPBOPSSA-N. The full InChI is InChI=1S/C29H41N5O3.C26H35N3O2.C24H26N2O3.C23H26N2O2.C23H28N2O2.C22H24N2O4.C21H22N4O2.C21H23N3O2.C21H24N2O4.C21H24N2O3.C21H22N2O2S.2C20H22N4O2.C20H22N2O4/c1-23(35)31(2)12-13-32-14-16-33(17-15-32)20-24-6-5-9-26(18-24)29(37)30-19-28(36)22-34-11-10-25-7-3-4-8-27(25)21-34;1-28-12-9-20(10-13-28)15-21-5-4-8-23(16-21)26(31)27-17-25(30)19-29-14-11-22-6-2-3-7-24(22)18-29;1-29-23-9-8-18-12-20(7-6-19(18)13-23)24(28)25-14-22(27)16-26-11-10-17-4-2-3-5-21(17)15-26;1-24-16-21(20-8-4-5-9-22(20)24)23(27)11-10-19(26)15-25-13-12-17-6-2-3-7-18(17)14-25;26-22(16-25-12-11-18-6-2-4-8-21(18)15-25)14-24-23(27)20-10-9-17-5-1-3-7-19(17)13-20;1-27-19-6-7-20-17(10-19)11-21(28-20)22(26)23-12-18(25)14-24-9-8-15-4-2-3-5-16(15)13-24;26-17(14-25-10-9-15-5-1-2-6-16(15)13-25)11-23-21(27)20-12-22-18-7-3-4-8-19(18)24-20;25-17(14-24-10-9-15-5-1-2-6-16(15)13-24)11-23-21(26)19-12-22-20-8-4-3-7-18(19)20;24-17(14-23-9-8-15-4-1-2-5-16(15)13-23)12-22-21(25)18-6-3-7-19-20(18)27-11-10-26-19;24-19(14-23-9-7-15-3-1-2-4-18(15)13-23)12-22-21(25)17-5-6-20-16(11-17)8-10-26-20;24-17(13-23-10-9-15-5-1-2-6-16(15)12-23)11-22-21(25)19-14-26-20-8-4-3-7-18(19)20;25-16(13-24-10-9-14-5-1-2-6-15(14)12-24)11-21-20(26)19-17-7-3-4-8-18(17)22-23-19;25-16(12-24-9-8-14-4-1-2-5-15(14)11-24)10-21-20(26)17-6-3-7-18-19(17)23-13-22-18;23-17(12-22-8-7-14-3-1-2-4-16(14)11-22)10-21-20(24)15-5-6-18-19(9-15)26-13-25-18/h3-9,18,28,36H,10-17,19-22H2,1-2H3,(H,30,37);2-8,16,20,25,30H,9-15,17-19H2,1H3,(H,27,31);2-9,12-13,22,27H,10-11,14-16H2,1H3,(H,25,28);2-9,16,19,26H,10-15H2,1H3;2,4,6,8-10,13,22,26H,1,3,5,7,11-12,14-16H2,(H,24,27);2-7,10-11,18,25H,8-9,12-14H2,1H3,(H,23,26);1-8,12,17,26H,9-11,13-14H2,(H,23,27);1-8,12,17,22,25H,9-11,13-14H2,(H,23,26);1-7,17,24H,8-14H2,(H,22,25);1-6,11,19,24H,7-10,12-14H2,(H,22,25);1-8,14,17,24H,9-13H2,(H,22,25);1-8,16,25H,9-13H2,(H,21,26)(H,22,23);1-7,13,16,25H,8-12H2,(H,21,26)(H,22,23);1-6,9,17,23H,7-8,10-13H2,(H,21,24)/t;25-;22-;19-;22-;18-;3*17-;19-;17-;2*16-;17-/m.0000000000000/s1.
What are the key properties of 3-[[4-[2-[acetyl(methyl)amino]ethyl]piperazin-1-yl]methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxynaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
3-[[4-[2-[acetyl(methyl)amino]ethyl]piperazin-1-yl]methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxynaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 5281.62 g/mol, XLogP of 31.53, 80 rotatable bonds, 30 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-[acetyl(methyl)amino]ethyl]piperazin-1-yl]methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;(4S)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-(1-methylindol-3-yl)pentan-1-one;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-benzimidazole-4-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-benzodioxole-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2,3-dihydro-1-benzofuran-5-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indazole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1H-indole-3-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5-methoxy-1-benzofuran-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-methoxynaphthalene-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(1-methylpiperidin-4-yl)methyl]benzamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]quinoxaline-2-carboxamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 159141819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).