tert-butyl N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]carbamate;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-2-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-imidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-[methyl(methylsulfonyl)amino]phenoxy]acetamide

C181H222F2N26O32S3 — CID 161455657

IUPACtert-butyl N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]carbamate;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-2-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-imidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-[methyl(methylsulfonyl)amino]phenoxy]acetamide
SMILESCC(C)(C)OC(=O)Nc1ccccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.CN(C)c1cncc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.CN(c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1)S(C)(=O)=O.CS(=O)(=O)Nc1cccnc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.CS(=O)(=O)Nc1ncccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.Cn1ccnc1-c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.O=C(COc1cccc2cccnc12)NCC(O)CN1Cc2ccccc2C(F)(F)C1.O=C(COc1ccccc1-c1ncc[nH]1)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C26H34N2O5.C24H28N4O3.C23H23F2N3O3.C23H26N4O3.C22H29N3O5S.C21H28N4O3.2C21H27N3O5S/c1-26(2,3)33-25(31)27-23-10-6-7-11-24(23)32-18-22(30)13-12-21(29)17-28-15-14-19-8-4-5-9-20(19)16-28;1-27-13-11-25-24(27)21-8-4-5-9-22(21)31-17-23(30)26-14-20(29)16-28-12-10-18-6-2-3-7-19(18)15-28;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;28-19(15-27-12-9-17-5-1-2-6-18(17)14-27)13-26-22(29)16-30-21-8-4-3-7-20(21)23-24-10-11-25-23;1-24(31(2,28)29)19-8-5-9-21(12-19)30-16-22(27)23-13-20(26)15-25-11-10-17-6-3-4-7-18(17)14-25;1-24(2)18-9-20(12-22-10-18)28-15-21(27)23-11-19(26)14-25-8-7-16-5-3-4-6-17(16)13-25;1-30(27,28)23-21-20(7-4-11-22-21)29-15-19(26)9-8-18(25)14-24-12-10-16-5-2-3-6-17(16)13-24;1-30(27,28)23-20-7-4-11-22-21(20)29-15-19(26)9-8-18(25)14-24-12-10-16-5-2-3-6-17(16)13-24/h4-11,21,29H,12-18H2,1-3H3,(H,27,31);2-9,11,13,20,29H,10,12,14-17H2,1H3,(H,26,30);1-10,18,29H,11-15H2,(H,27,30);1-8,10-11,19,28H,9,12-16H2,(H,24,25)(H,26,29);3-9,12,20,26H,10-11,13-16H2,1-2H3,(H,23,27);3-6,9-10,12,19,26H,7-8,11,13-15H2,1-2H3,(H,23,27);2-7,11,18,25H,8-10,12-15H2,1H3,(H,22,23);2-7,11,18,23,25H,8-10,12-15H2,1H3
InChIKeyWBCSMJYSNANRJT-UHFFFAOYSA-N
MW3408.11 g/mol
LogP16.13
Rot. Bonds69

About tert-butyl N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]carbamate;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-2-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-imidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-[methyl(methylsulfonyl)amino]phenoxy]acetamide

tert-butyl N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]carbamate;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-2-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-imidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-[methyl(methylsulfonyl)amino]phenoxy]acetamide (PubChem CID 161455657) has the molecular formula C181H222F2N26O32S3 and a molecular weight of 3408.11 g/mol. Its IUPAC name is tert-butyl N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]carbamate;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-2-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-imidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-[methyl(methylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

Compound Nametert-butyl N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]carbamate;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-2-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-imidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-[methyl(methylsulfonyl)amino]phenoxy]acetamide
PubChem CID161455657
Molecular FormulaC181H222F2N26O32S3
Molecular Weight3408.11 g/mol
Exact Mass3405.57
IUPAC Nametert-butyl N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]carbamate;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-2-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-imidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-[methyl(methylsulfonyl)amino]phenoxy]acetamide
SMILESCC(C)(C)OC(=O)Nc1ccccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.CN(C)c1cncc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.CN(c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1)S(C)(=O)=O.CS(=O)(=O)Nc1cccnc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.CS(=O)(=O)Nc1ncccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.Cn1ccnc1-c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.O=C(COc1cccc2cccnc12)NCC(O)CN1Cc2ccccc2C(F)(F)C1.O=C(COc1ccccc1-c1ncc[nH]1)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C26H34N2O5.C24H28N4O3.C23H23F2N3O3.C23H26N4O3.C22H29N3O5S.C21H28N4O3.2C21H27N3O5S/c1-26(2,3)33-25(31)27-23-10-6-7-11-24(23)32-18-22(30)13-12-21(29)17-28-15-14-19-8-4-5-9-20(19)16-28;1-27-13-11-25-24(27)21-8-4-5-9-22(21)31-17-23(30)26-14-20(29)16-28-12-10-18-6-2-3-7-19(18)15-28;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;28-19(15-27-12-9-17-5-1-2-6-18(17)14-27)13-26-22(29)16-30-21-8-4-3-7-20(21)23-24-10-11-25-23;1-24(31(2,28)29)19-8-5-9-21(12-19)30-16-22(27)23-13-20(26)15-25-11-10-17-6-3-4-7-18(17)14-25;1-24(2)18-9-20(12-22-10-18)28-15-21(27)23-11-19(26)14-25-8-7-16-5-3-4-6-17(16)13-25;1-30(27,28)23-21-20(7-4-11-22-21)29-15-19(26)9-8-18(25)14-24-12-10-16-5-2-3-6-17(16)13-24;1-30(27,28)23-20-7-4-11-22-21(20)29-15-19(26)9-8-18(25)14-24-12-10-16-5-2-3-6-17(16)13-24/h4-11,21,29H,12-18H2,1-3H3,(H,27,31);2-9,11,13,20,29H,10,12,14-17H2,1H3,(H,26,30);1-10,18,29H,11-15H2,(H,27,30);1-8,10-11,19,28H,9,12-16H2,(H,24,25)(H,26,29);3-9,12,20,26H,10-11,13-16H2,1-2H3,(H,23,27);3-6,9-10,12,19,26H,7-8,11,13-15H2,1-2H3,(H,23,27);2-7,11,18,25H,8-10,12-15H2,1H3,(H,22,23);2-7,11,18,23,25H,8-10,12-15H2,1H3
InChIKeyWBCSMJYSNANRJT-UHFFFAOYSA-N
XLogP16.13
TPSA727.66 Ų
H-Bond Donors17
H-Bond Acceptors48
Rotatable Bonds69
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003408.11
LogP ≤ 516.13
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1048

Analyze tert-butyl N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]carbamate;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-2-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-imidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-[methyl(methylsulfonyl)amino]phenoxy]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]carbamate;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-2-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-imidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The IUPAC name of tert-butyl N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]carbamate;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-2-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-imidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-[methyl(methylsulfonyl)amino]phenoxy]acetamide (CID 161455657) is tert-butyl N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]carbamate;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-2-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-imidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-[methyl(methylsulfonyl)amino]phenoxy]acetamide.
What is the SMILES notation for tert-butyl N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]carbamate;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-2-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-imidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The canonical SMILES for tert-butyl N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]carbamate;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-2-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-imidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-[methyl(methylsulfonyl)amino]phenoxy]acetamide is CC(C)(C)OC(=O)Nc1ccccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.CN(C)c1cncc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.CN(c1cccc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1)S(C)(=O)=O.CS(=O)(=O)Nc1cccnc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.CS(=O)(=O)Nc1ncccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1.Cn1ccnc1-c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.O=C(COc1cccc2cccnc12)NCC(O)CN1Cc2ccccc2C(F)(F)C1.O=C(COc1ccccc1-c1ncc[nH]1)NCC(O)CN1CCc2ccccc2C1.
What is the InChIKey of tert-butyl N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]carbamate;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-2-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-imidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The InChIKey is WBCSMJYSNANRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O5.C24H28N4O3.C23H23F2N3O3.C23H26N4O3.C22H29N3O5S.C21H28N4O3.2C21H27N3O5S/c1-26(2,3)33-25(31)27-23-10-6-7-11-24(23)32-18-22(30)13-12-21(29)17-28-15-14-19-8-4-5-9-20(19)16-28;1-27-13-11-25-24(27)21-8-4-5-9-22(21)31-17-23(30)26-14-20(29)16-28-12-10-18-6-2-3-7-19(18)15-28;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;28-19(15-27-12-9-17-5-1-2-6-18(17)14-27)13-26-22(29)16-30-21-8-4-3-7-20(21)23-24-10-11-25-23;1-24(31(2,28)29)19-8-5-9-21(12-19)30-16-22(27)23-13-20(26)15-25-11-10-17-6-3-4-7-18(17)14-25;1-24(2)18-9-20(12-22-10-18)28-15-21(27)23-11-19(26)14-25-8-7-16-5-3-4-6-17(16)13-25;1-30(27,28)23-21-20(7-4-11-22-21)29-15-19(26)9-8-18(25)14-24-12-10-16-5-2-3-6-17(16)13-24;1-30(27,28)23-20-7-4-11-22-21(20)29-15-19(26)9-8-18(25)14-24-12-10-16-5-2-3-6-17(16)13-24/h4-11,21,29H,12-18H2,1-3H3,(H,27,31);2-9,11,13,20,29H,10,12,14-17H2,1H3,(H,26,30);1-10,18,29H,11-15H2,(H,27,30);1-8,10-11,19,28H,9,12-16H2,(H,24,25)(H,26,29);3-9,12,20,26H,10-11,13-16H2,1-2H3,(H,23,27);3-6,9-10,12,19,26H,7-8,11,13-15H2,1-2H3,(H,23,27);2-7,11,18,25H,8-10,12-15H2,1H3,(H,22,23);2-7,11,18,23,25H,8-10,12-15H2,1H3.
What are the key properties of tert-butyl N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]carbamate;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-2-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-imidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
tert-butyl N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]carbamate;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-2-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-imidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-[methyl(methylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 3408.11 g/mol, XLogP of 16.13, 69 rotatable bonds, 17 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]carbamate;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-2-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-imidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-[methyl(methylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 161455657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).