1-[3-[2-chloro-5-(trifluoromethoxy)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-propan-2-yloxyphenyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,1-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methyl-1,3-oxazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-ol;2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetamide

C201H218ClF4N25O23 — CID 158290181

IUPAC1-[3-[2-chloro-5-(trifluoromethoxy)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-propan-2-yloxyphenyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,1-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methyl-1,3-oxazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-ol;2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetamide
SMILESCC(C)Oc1ccc(F)c(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.CN(C(=O)c1cccnc1)c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.CN(C(=O)c1cn(C)cn1)c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.CN(C(=O)c1cncn1C)c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.CN(C(=O)c1cocn1)c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.Cn1cnc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4CC(N)=O)c3)cc21.Cn1cnc2ccc(-c3cncc(NCC(O)CN4CCc5ccccc5C4)c3)cc21.OC(COc1cccc(-c2cc(OC(F)(F)F)ccc2Cl)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C28H30N4O3.C27H30FNO3.C25H23ClF3NO3.C25H27N5O.C25H27N3O3.2C24H28N4O3.C23H25N3O4/c1-31-18-30-25-10-9-21(14-27(25)31)20-6-4-7-23(13-20)35-17-22(33)16-32-12-11-19-5-2-3-8-24(19)26(32)15-28(29)34;1-19(2)32-25-10-11-27(28)26(15-25)21-8-5-9-24(14-21)31-18-23(30)17-29-13-12-20-6-3-4-7-22(20)16-29;26-24-9-8-22(33-25(27,28)29)13-23(24)18-6-3-7-21(12-18)32-16-20(31)15-30-11-10-17-4-1-2-5-19(17)14-30;1-29-17-28-24-7-6-19(11-25(24)29)21-10-22(13-26-12-21)27-14-23(31)16-30-9-8-18-4-2-3-5-20(18)15-30;1-27(25(30)20-8-5-12-26-15-20)22-9-4-10-24(14-22)31-18-23(29)17-28-13-11-19-6-2-3-7-21(19)16-28;1-26-17-25-13-23(26)24(30)27(2)20-8-5-9-22(12-20)31-16-21(29)15-28-11-10-18-6-3-4-7-19(18)14-28;1-26-15-23(25-17-26)24(30)27(2)20-8-5-9-22(12-20)31-16-21(29)14-28-11-10-18-6-3-4-7-19(18)13-28;1-25(23(28)22-15-29-16-24-22)19-7-4-8-21(11-19)30-14-20(27)13-26-10-9-17-5-2-3-6-18(17)12-26/h2-10,13-14,18,22,26,33H,11-12,15-17H2,1H3,(H2,29,34);3-11,14-15,19,23,30H,12-13,16-18H2,1-2H3;1-9,12-13,20,31H,10-11,14-16H2;2-7,10-13,17,23,27,31H,8-9,14-16H2,1H3;2-10,12,14-15,23,29H,11,13,16-18H2,1H3;3-9,12-13,17,21,29H,10-11,14-16H2,1-2H3;3-9,12,15,17,21,29H,10-11,13-14,16H2,1-2H3;2-8,11,15-16,20,27H,9-10,12-14H2,1H3
InChIKeyGLGFHKPXWVRRNU-UHFFFAOYSA-N
MW3463.55 g/mol
LogP28.60
Rot. Bonds57

About 1-[3-[2-chloro-5-(trifluoromethoxy)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-propan-2-yloxyphenyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,1-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methyl-1,3-oxazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-ol;2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetamide

1-[3-[2-chloro-5-(trifluoromethoxy)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-propan-2-yloxyphenyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,1-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methyl-1,3-oxazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-ol;2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetamide (PubChem CID 158290181) has the molecular formula C201H218ClF4N25O23 and a molecular weight of 3463.55 g/mol. Its IUPAC name is 1-[3-[2-chloro-5-(trifluoromethoxy)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-propan-2-yloxyphenyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,1-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methyl-1,3-oxazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-ol;2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetamide.

Molecular Properties

Compound Name1-[3-[2-chloro-5-(trifluoromethoxy)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-propan-2-yloxyphenyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,1-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methyl-1,3-oxazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-ol;2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetamide
PubChem CID158290181
Molecular FormulaC201H218ClF4N25O23
Molecular Weight3463.55 g/mol
Exact Mass3460.63
IUPAC Name1-[3-[2-chloro-5-(trifluoromethoxy)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-propan-2-yloxyphenyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,1-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methyl-1,3-oxazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-ol;2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetamide
SMILESCC(C)Oc1ccc(F)c(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.CN(C(=O)c1cccnc1)c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.CN(C(=O)c1cn(C)cn1)c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.CN(C(=O)c1cncn1C)c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.CN(C(=O)c1cocn1)c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.Cn1cnc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4CC(N)=O)c3)cc21.Cn1cnc2ccc(-c3cncc(NCC(O)CN4CCc5ccccc5C4)c3)cc21.OC(COc1cccc(-c2cc(OC(F)(F)F)ccc2Cl)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C28H30N4O3.C27H30FNO3.C25H23ClF3NO3.C25H27N5O.C25H27N3O3.2C24H28N4O3.C23H25N3O4/c1-31-18-30-25-10-9-21(14-27(25)31)20-6-4-7-23(13-20)35-17-22(33)16-32-12-11-19-5-2-3-8-24(19)26(32)15-28(29)34;1-19(2)32-25-10-11-27(28)26(15-25)21-8-5-9-24(14-21)31-18-23(30)17-29-13-12-20-6-3-4-7-22(20)16-29;26-24-9-8-22(33-25(27,28)29)13-23(24)18-6-3-7-21(12-18)32-16-20(31)15-30-11-10-17-4-1-2-5-19(17)14-30;1-29-17-28-24-7-6-19(11-25(24)29)21-10-22(13-26-12-21)27-14-23(31)16-30-9-8-18-4-2-3-5-20(18)15-30;1-27(25(30)20-8-5-12-26-15-20)22-9-4-10-24(14-22)31-18-23(29)17-28-13-11-19-6-2-3-7-21(19)16-28;1-26-17-25-13-23(26)24(30)27(2)20-8-5-9-22(12-20)31-16-21(29)15-28-11-10-18-6-3-4-7-19(18)14-28;1-26-15-23(25-17-26)24(30)27(2)20-8-5-9-22(12-20)31-16-21(29)14-28-11-10-18-6-3-4-7-19(18)13-28;1-25(23(28)22-15-29-16-24-22)19-7-4-8-21(11-19)30-14-20(27)13-26-10-9-17-5-2-3-6-18(17)12-26/h2-10,13-14,18,22,26,33H,11-12,15-17H2,1H3,(H2,29,34);3-11,14-15,19,23,30H,12-13,16-18H2,1-2H3;1-9,12-13,20,31H,10-11,14-16H2;2-7,10-13,17,23,27,31H,8-9,14-16H2,1H3;2-10,12,14-15,23,29H,11,13,16-18H2,1H3;3-9,12-13,17,21,29H,10-11,14-16H2,1-2H3;3-9,12,15,17,21,29H,10-11,13-14,16H2,1-2H3;2-8,11,15-16,20,27H,9-10,12-14H2,1H3
InChIKeyGLGFHKPXWVRRNU-UHFFFAOYSA-N
XLogP28.60
TPSA530.28 Ų
H-Bond Donors10
H-Bond Acceptors43
Rotatable Bonds57
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003463.55
LogP ≤ 528.60
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1043

Analyze 1-[3-[2-chloro-5-(trifluoromethoxy)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-propan-2-yloxyphenyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,1-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methyl-1,3-oxazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-ol;2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetamide with MolForge

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Related Compounds

1-[3-[2-chloro-5-(trifluoromethoxy)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-propan-2-yloxyphenyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,1-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methyl-1,3-oxazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methyl-1,3-oxazole-5-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-ol;2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetamide
CID 159581084
1-[3-[2,4-bis(trifluoromethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[2-chloro-4-(trifluoromethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[2-(dimethylamino)pyrimidin-5-yl]phenoxy]propan-2-ol;[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]-morpholin-4-ylmethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrazin-2-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(4-methyl-3-pyridinyl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 160299623
1-[3-[2-chloro-5-(trifluoromethoxy)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-propan-2-yloxyphenyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,1-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methyl-1,3-oxazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methyl-1,3-oxazole-5-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]oxy]propan-2-ol;2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetamide
CID 160624567
1-[3-[2-chloro-5-(1,1-difluoroethoxy)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,1-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylfuran-2-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-1-methylpyrrole-2-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methyl-3H-pyrrole-5-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)phenoxy]propan-2-ol
CID 160962252
[8-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-3-yl]-phenylmethanone;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[3,4-c][1,4]benzoxazin-8-amine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-3-(furan-3-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-3-(1,3-oxazol-5-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-amine
CID 158087674
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-propan-2-yloxyphenyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,1-dimethylpyrrole-2-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;2-[2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(3-methylbenzimidazol-5-yl)pyrimidin-4-yl]amino]propan-2-ol;2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetamide
CID 160307562
1-[3-(1,3-benzoxazol-6-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(1,3-dimethylindol-6-yl)phenoxy]propan-2-ol;3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylbenzamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-1-methylimidazole-4-carboxamide;5-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;[3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]-pyrrolidin-1-ylmethanone;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyridazine-4-carboxamide
CID 161760168

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-chloro-5-(trifluoromethoxy)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-propan-2-yloxyphenyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,1-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methyl-1,3-oxazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-ol;2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetamide?
The IUPAC name of 1-[3-[2-chloro-5-(trifluoromethoxy)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-propan-2-yloxyphenyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,1-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methyl-1,3-oxazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-ol;2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetamide (CID 158290181) is 1-[3-[2-chloro-5-(trifluoromethoxy)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-propan-2-yloxyphenyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,1-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methyl-1,3-oxazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-ol;2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetamide.
What is the SMILES notation for 1-[3-[2-chloro-5-(trifluoromethoxy)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-propan-2-yloxyphenyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,1-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methyl-1,3-oxazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-ol;2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetamide?
The canonical SMILES for 1-[3-[2-chloro-5-(trifluoromethoxy)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-propan-2-yloxyphenyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,1-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methyl-1,3-oxazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-ol;2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetamide is CC(C)Oc1ccc(F)c(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.CN(C(=O)c1cccnc1)c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.CN(C(=O)c1cn(C)cn1)c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.CN(C(=O)c1cncn1C)c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.CN(C(=O)c1cocn1)c1cccc(OCC(O)CN2CCc3ccccc3C2)c1.Cn1cnc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4CC(N)=O)c3)cc21.Cn1cnc2ccc(-c3cncc(NCC(O)CN4CCc5ccccc5C4)c3)cc21.OC(COc1cccc(-c2cc(OC(F)(F)F)ccc2Cl)c1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-[3-[2-chloro-5-(trifluoromethoxy)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-propan-2-yloxyphenyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,1-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methyl-1,3-oxazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-ol;2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetamide?
The InChIKey is GLGFHKPXWVRRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3.C27H30FNO3.C25H23ClF3NO3.C25H27N5O.C25H27N3O3.2C24H28N4O3.C23H25N3O4/c1-31-18-30-25-10-9-21(14-27(25)31)20-6-4-7-23(13-20)35-17-22(33)16-32-12-11-19-5-2-3-8-24(19)26(32)15-28(29)34;1-19(2)32-25-10-11-27(28)26(15-25)21-8-5-9-24(14-21)31-18-23(30)17-29-13-12-20-6-3-4-7-22(20)16-29;26-24-9-8-22(33-25(27,28)29)13-23(24)18-6-3-7-21(12-18)32-16-20(31)15-30-11-10-17-4-1-2-5-19(17)14-30;1-29-17-28-24-7-6-19(11-25(24)29)21-10-22(13-26-12-21)27-14-23(31)16-30-9-8-18-4-2-3-5-20(18)15-30;1-27(25(30)20-8-5-12-26-15-20)22-9-4-10-24(14-22)31-18-23(29)17-28-13-11-19-6-2-3-7-21(19)16-28;1-26-17-25-13-23(26)24(30)27(2)20-8-5-9-22(12-20)31-16-21(29)15-28-11-10-18-6-3-4-7-19(18)14-28;1-26-15-23(25-17-26)24(30)27(2)20-8-5-9-22(12-20)31-16-21(29)14-28-11-10-18-6-3-4-7-19(18)13-28;1-25(23(28)22-15-29-16-24-22)19-7-4-8-21(11-19)30-14-20(27)13-26-10-9-17-5-2-3-6-18(17)12-26/h2-10,13-14,18,22,26,33H,11-12,15-17H2,1H3,(H2,29,34);3-11,14-15,19,23,30H,12-13,16-18H2,1-2H3;1-9,12-13,20,31H,10-11,14-16H2;2-7,10-13,17,23,27,31H,8-9,14-16H2,1H3;2-10,12,14-15,23,29H,11,13,16-18H2,1H3;3-9,12-13,17,21,29H,10-11,14-16H2,1-2H3;3-9,12,15,17,21,29H,10-11,13-14,16H2,1-2H3;2-8,11,15-16,20,27H,9-10,12-14H2,1H3.
What are the key properties of 1-[3-[2-chloro-5-(trifluoromethoxy)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-propan-2-yloxyphenyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,1-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methyl-1,3-oxazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-ol;2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetamide?
1-[3-[2-chloro-5-(trifluoromethoxy)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-propan-2-yloxyphenyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,1-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methyl-1,3-oxazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-ol;2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetamide has a molecular weight of 3463.55 g/mol, XLogP of 28.60, 57 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-chloro-5-(trifluoromethoxy)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-propan-2-yloxyphenyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,1-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,3-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methyl-1,3-oxazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylpyridine-3-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-ol;2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetamide is sourced from PubChem (CID 158290181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).