5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxypentan-1-one;N-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]acetamide;N-[2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(methanesulfonamido)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methylsulfonylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(piperazin-1-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-sulfamoylbenzamide

C175H222N22O26S4 — CID 158415279

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxypentan-1-one;N-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]acetamide;N-[2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(methanesulfonamido)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methylsulfonylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(piperazin-1-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-sulfamoylbenzamide
SMILESCC(=O)Nc1cccc(C(=O)CCC(O)CN2CCc3ccccc3C2)c1.CN(C)CCOc1cccc(C(=O)CCC(O)CN2CCc3ccccc3C2)c1.CN1CCN(Cc2cccc(C(=O)NCC(O)CN3CCc4ccccc4C3)c2)CC1.CS(=O)(=O)Nc1ccc(C(=O)NCC(O)CN2CCc3ccccc3C2)cc1.CS(=O)(=O)Nc1ccccc1C(=O)CCC(O)CN1CCc2ccccc2C1.CS(=O)(=O)c1cccc(C(=O)NCC(O)CN2CCc3ccccc3C2)c1.NS(=O)(=O)c1ccccc1C(=O)NCC(O)CN1CCc2ccccc2C1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CN2CCNCC2)c1
InChIInChI=1S/C25H34N4O2.C24H32N4O2.C24H32N2O3.C22H26N2O3.C21H26N2O4S.C20H25N3O4S.C20H24N2O4S.C19H23N3O4S/c1-27-11-13-28(14-12-27)17-20-5-4-8-22(15-20)25(31)26-16-24(30)19-29-10-9-21-6-2-3-7-23(21)18-29;29-23(18-28-11-8-20-5-1-2-6-22(20)17-28)15-26-24(30)21-7-3-4-19(14-21)16-27-12-9-25-10-13-27;1-25(2)14-15-29-23-9-5-8-20(16-23)24(28)11-10-22(27)18-26-13-12-19-6-3-4-7-21(19)17-26;1-16(25)23-20-8-4-7-18(13-20)22(27)10-9-21(26)15-24-12-11-17-5-2-3-6-19(17)14-24;1-28(26,27)22-20-9-5-4-8-19(20)21(25)11-10-18(24)15-23-13-12-16-6-2-3-7-17(16)14-23;1-28(26,27)22-18-8-6-16(7-9-18)20(25)21-12-19(24)14-23-11-10-15-4-2-3-5-17(15)13-23;1-27(25,26)19-8-4-7-16(11-19)20(24)21-12-18(23)14-22-10-9-15-5-2-3-6-17(15)13-22;20-27(25,26)18-8-4-3-7-17(18)19(24)21-11-16(23)13-22-10-9-14-5-1-2-6-15(14)12-22/h2-8,15,24,30H,9-14,16-19H2,1H3,(H,26,31);1-7,14,23,25,29H,8-13,15-18H2,(H,26,30);3-9,16,22,27H,10-15,17-18H2,1-2H3;2-8,13,21,26H,9-12,14-15H2,1H3,(H,23,25);2-9,18,22,24H,10-15H2,1H3;2-9,19,22,24H,10-14H2,1H3,(H,21,25);2-8,11,18,23H,9-10,12-14H2,1H3,(H,21,24);1-8,16,23H,9-13H2,(H,21,24)(H2,20,25,26)
InChIKeyGZUXPXDPKBYKSQ-UHFFFAOYSA-N
MW3178.10 g/mol
LogP14.23
Rot. Bonds58

About 5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxypentan-1-one;N-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]acetamide;N-[2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(methanesulfonamido)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methylsulfonylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(piperazin-1-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-sulfamoylbenzamide

5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxypentan-1-one;N-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]acetamide;N-[2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(methanesulfonamido)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methylsulfonylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(piperazin-1-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-sulfamoylbenzamide (PubChem CID 158415279) has the molecular formula C175H222N22O26S4 and a molecular weight of 3178.10 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxypentan-1-one;N-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]acetamide;N-[2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(methanesulfonamido)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methylsulfonylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(piperazin-1-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-sulfamoylbenzamide.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxypentan-1-one;N-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]acetamide;N-[2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(methanesulfonamido)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methylsulfonylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(piperazin-1-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-sulfamoylbenzamide
PubChem CID158415279
Molecular FormulaC175H222N22O26S4
Molecular Weight3178.10 g/mol
Exact Mass3175.56
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxypentan-1-one;N-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]acetamide;N-[2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(methanesulfonamido)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methylsulfonylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(piperazin-1-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-sulfamoylbenzamide
SMILESCC(=O)Nc1cccc(C(=O)CCC(O)CN2CCc3ccccc3C2)c1.CN(C)CCOc1cccc(C(=O)CCC(O)CN2CCc3ccccc3C2)c1.CN1CCN(Cc2cccc(C(=O)NCC(O)CN3CCc4ccccc4C3)c2)CC1.CS(=O)(=O)Nc1ccc(C(=O)NCC(O)CN2CCc3ccccc3C2)cc1.CS(=O)(=O)Nc1ccccc1C(=O)CCC(O)CN1CCc2ccccc2C1.CS(=O)(=O)c1cccc(C(=O)NCC(O)CN2CCc3ccccc3C2)c1.NS(=O)(=O)c1ccccc1C(=O)NCC(O)CN1CCc2ccccc2C1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CN2CCNCC2)c1
InChIInChI=1S/C25H34N4O2.C24H32N4O2.C24H32N2O3.C22H26N2O3.C21H26N2O4S.C20H25N3O4S.C20H24N2O4S.C19H23N3O4S/c1-27-11-13-28(14-12-27)17-20-5-4-8-22(15-20)25(31)26-16-24(30)19-29-10-9-21-6-2-3-7-23(21)18-29;29-23(18-28-11-8-20-5-1-2-6-22(20)17-28)15-26-24(30)21-7-3-4-19(14-21)16-27-12-9-25-10-13-27;1-25(2)14-15-29-23-9-5-8-20(16-23)24(28)11-10-22(27)18-26-13-12-19-6-3-4-7-21(19)17-26;1-16(25)23-20-8-4-7-18(13-20)22(27)10-9-21(26)15-24-12-11-17-5-2-3-6-19(17)14-24;1-28(26,27)22-20-9-5-4-8-19(20)21(25)11-10-18(24)15-23-13-12-16-6-2-3-7-17(16)14-23;1-28(26,27)22-18-8-6-16(7-9-18)20(25)21-12-19(24)14-23-11-10-15-4-2-3-5-17(15)13-23;1-27(25,26)19-8-4-7-16(11-19)20(24)21-12-18(23)14-22-10-9-15-5-2-3-6-17(15)13-22;20-27(25,26)18-8-4-3-7-17(18)19(24)21-11-16(23)13-22-10-9-14-5-1-2-6-15(14)12-22/h2-8,15,24,30H,9-14,16-19H2,1H3,(H,26,31);1-7,14,23,25,29H,8-13,15-18H2,(H,26,30);3-9,16,22,27H,10-15,17-18H2,1-2H3;2-8,13,21,26H,9-12,14-15H2,1H3,(H,23,25);2-9,18,22,24H,10-15H2,1H3;2-9,19,22,24H,10-14H2,1H3,(H,21,25);2-8,11,18,23H,9-10,12-14H2,1H3,(H,21,24);1-8,16,23H,9-13H2,(H,21,24)(H2,20,25,26)
InChIKeyGZUXPXDPKBYKSQ-UHFFFAOYSA-N
XLogP14.23
TPSA634.43 Ų
H-Bond Donors18
H-Bond Acceptors39
Rotatable Bonds58
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003178.10
LogP ≤ 514.23
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1039

Analyze 5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxypentan-1-one;N-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]acetamide;N-[2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(methanesulfonamido)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methylsulfonylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(piperazin-1-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-sulfamoylbenzamide with MolForge

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Related Compounds

5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-(3-hydroxypropylamino)phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-ethylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(pyrrolidin-3-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]benzamide
CID 159337858
3-tert-butylbenzamide;4-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(4-tert-butylphenyl)acetamide;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;1-(3-tert-butylphenyl)propan-2-one
CID 157181882
2-tert-butyl-N,N-dimethylbenzenesulfonamide;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol
CID 157419369
CID 157875641
CID 157875641
CID 158331446
CID 158331446
2-tert-butylbenzenesulfonamide;2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol
CID 158370477
5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxypentan-1-one;5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxy-1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]pentan-1-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(methanesulfonamido)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(4-methylpiperazin-1-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1-methylpyrrolidin-2-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methylsulfonylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-piperazin-1-ylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(piperazin-1-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-sulfamoylbenzamide
CID 158580059
3-[[4-(2-acetamidoethyl)piperazin-1-yl]methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1,1-dioxo-1,4-thiazinan-4-yl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methoxy-5-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[1-(4-methylpiperazin-1-yl)ethyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(1-methylsulfonylpyrrolidin-3-yl)oxybenzamide;bis(N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(4-oxopentyl)piperazin-1-yl]methyl]benzamide);N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[[4-(2-oxopropyl)piperazin-1-yl]methyl]benzamide
CID 158625959
CID 159197243
CID 159197243
3-tert-butylbenzamide;2-tert-butylbenzenesulfonamide;3-tert-butylbenzenesulfonamide;1-tert-butyl-3-(methylsulfonylmethyl)benzene;2-(3-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)methanesulfonamide;1-[(3-tert-butylphenyl)methyl]-4-methylpiperazine;1-[(3-tert-butylphenyl)methyl]piperazine;2-(3-tert-butylphenyl)-1-methylpyrrolidine;1-(3-tert-butylphenyl)piperazine;1-(3-tert-butylphenyl)propan-2-one
CID 159524604
CID 159594608
CID 159594608
2-tert-butyl-N,N-dimethylbenzamide;2-tert-butyl-N,N-dimethylbenzenesulfonamide;1-tert-butyl-2-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;4-[(3-tert-butylphenyl)methyl]oxane;1-(2-tert-butylphenyl)-4-methylpiperazine;3-(2-tert-butylphenyl)-1-methylpiperidine;1-(2-tert-butylphenyl)-4-methylsulfonylpiperazine;(3-tert-butylphenyl)-morpholin-4-ylmethanone;1-(2-tert-butylphenyl)piperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)propan-1-one;1-(2-tert-butylphenyl)sulfonylpiperazine;1-(2-tert-butylphenyl)sulfonylpyrrolidine;1-(2-tert-butylphenyl)sulfonylpyrrolidin-3-ol
CID 159695619

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxypentan-1-one;N-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]acetamide;N-[2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(methanesulfonamido)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methylsulfonylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(piperazin-1-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-sulfamoylbenzamide?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxypentan-1-one;N-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]acetamide;N-[2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(methanesulfonamido)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methylsulfonylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(piperazin-1-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-sulfamoylbenzamide (CID 158415279) is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxypentan-1-one;N-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]acetamide;N-[2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(methanesulfonamido)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methylsulfonylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(piperazin-1-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-sulfamoylbenzamide.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxypentan-1-one;N-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]acetamide;N-[2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(methanesulfonamido)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methylsulfonylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(piperazin-1-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-sulfamoylbenzamide?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxypentan-1-one;N-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]acetamide;N-[2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(methanesulfonamido)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methylsulfonylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(piperazin-1-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-sulfamoylbenzamide is CC(=O)Nc1cccc(C(=O)CCC(O)CN2CCc3ccccc3C2)c1.CN(C)CCOc1cccc(C(=O)CCC(O)CN2CCc3ccccc3C2)c1.CN1CCN(Cc2cccc(C(=O)NCC(O)CN3CCc4ccccc4C3)c2)CC1.CS(=O)(=O)Nc1ccc(C(=O)NCC(O)CN2CCc3ccccc3C2)cc1.CS(=O)(=O)Nc1ccccc1C(=O)CCC(O)CN1CCc2ccccc2C1.CS(=O)(=O)c1cccc(C(=O)NCC(O)CN2CCc3ccccc3C2)c1.NS(=O)(=O)c1ccccc1C(=O)NCC(O)CN1CCc2ccccc2C1.O=C(NCC(O)CN1CCc2ccccc2C1)c1cccc(CN2CCNCC2)c1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxypentan-1-one;N-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]acetamide;N-[2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(methanesulfonamido)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methylsulfonylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(piperazin-1-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-sulfamoylbenzamide?
The InChIKey is GZUXPXDPKBYKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2.C24H32N4O2.C24H32N2O3.C22H26N2O3.C21H26N2O4S.C20H25N3O4S.C20H24N2O4S.C19H23N3O4S/c1-27-11-13-28(14-12-27)17-20-5-4-8-22(15-20)25(31)26-16-24(30)19-29-10-9-21-6-2-3-7-23(21)18-29;29-23(18-28-11-8-20-5-1-2-6-22(20)17-28)15-26-24(30)21-7-3-4-19(14-21)16-27-12-9-25-10-13-27;1-25(2)14-15-29-23-9-5-8-20(16-23)24(28)11-10-22(27)18-26-13-12-19-6-3-4-7-21(19)17-26;1-16(25)23-20-8-4-7-18(13-20)22(27)10-9-21(26)15-24-12-11-17-5-2-3-6-19(17)14-24;1-28(26,27)22-20-9-5-4-8-19(20)21(25)11-10-18(24)15-23-13-12-16-6-2-3-7-17(16)14-23;1-28(26,27)22-18-8-6-16(7-9-18)20(25)21-12-19(24)14-23-11-10-15-4-2-3-5-17(15)13-23;1-27(25,26)19-8-4-7-16(11-19)20(24)21-12-18(23)14-22-10-9-15-5-2-3-6-17(15)13-22;20-27(25,26)18-8-4-3-7-17(18)19(24)21-11-16(23)13-22-10-9-14-5-1-2-6-15(14)12-22/h2-8,15,24,30H,9-14,16-19H2,1H3,(H,26,31);1-7,14,23,25,29H,8-13,15-18H2,(H,26,30);3-9,16,22,27H,10-15,17-18H2,1-2H3;2-8,13,21,26H,9-12,14-15H2,1H3,(H,23,25);2-9,18,22,24H,10-15H2,1H3;2-9,19,22,24H,10-14H2,1H3,(H,21,25);2-8,11,18,23H,9-10,12-14H2,1H3,(H,21,24);1-8,16,23H,9-13H2,(H,21,24)(H2,20,25,26).
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxypentan-1-one;N-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]acetamide;N-[2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(methanesulfonamido)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methylsulfonylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(piperazin-1-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-sulfamoylbenzamide?
5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxypentan-1-one;N-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]acetamide;N-[2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(methanesulfonamido)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methylsulfonylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(piperazin-1-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-sulfamoylbenzamide has a molecular weight of 3178.10 g/mol, XLogP of 14.23, 58 rotatable bonds, 18 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxypentan-1-one;N-[3-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]acetamide;N-[2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypentanoyl]phenyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(methanesulfonamido)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[(4-methylpiperazin-1-yl)methyl]benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-methylsulfonylbenzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(piperazin-1-ylmethyl)benzamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-sulfamoylbenzamide is sourced from PubChem (CID 158415279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).