1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-pyridinyl)phenoxy]propan-2-ol;1-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[3-(1-methylindazol-6-yl)-1,2-oxazol-5-yl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrimidin-5-ylphenoxy)propan-2-ol;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;methyl 3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzoate

C198H207F2N19O21 — CID 160786452

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-pyridinyl)phenoxy]propan-2-ol;1-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[3-(1-methylindazol-6-yl)-1,2-oxazol-5-yl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrimidin-5-ylphenoxy)propan-2-ol;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;methyl 3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzoate
SMILESCC(=O)c1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.COC(=O)c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.COc1cccc2c1CCN(CC(O)COc1cccc(-c3ccc4ncn(C)c4c3)c1)C2.Cc1ccc(F)c(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.Cn1ccc2cnc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)nc21.Cn1ncc2ccc(-c3cc(COCC(O)CN4CCc5ccccc5C4)on3)cc21.OC(COc1cccc(-c2cccnc2F)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2cncnc2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C27H29N3O3.C26H27NO4.C26H27NO3.C25H26FNO2.C25H26N4O2.C24H26N4O3.C23H23FN2O2.C22H23N3O2/c1-29-18-28-25-10-9-20(14-26(25)29)19-5-3-7-23(13-19)33-17-22(31)16-30-12-11-24-21(15-30)6-4-8-27(24)32-2;1-30-26(29)22-10-4-8-20(14-22)21-9-5-11-25(15-21)31-18-24(28)17-27-13-12-19-6-2-3-7-23(19)16-27;1-19(28)20-9-11-22(12-10-20)23-7-4-8-26(15-23)30-18-25(29)17-27-14-13-21-5-2-3-6-24(21)16-27;1-18-9-10-25(26)24(13-18)20-7-4-8-23(14-20)29-17-22(28)16-27-12-11-19-5-2-3-6-21(19)15-27;1-28-11-9-20-14-26-24(27-25(20)28)19-7-4-8-23(13-19)31-17-22(30)16-29-12-10-18-5-2-3-6-21(18)15-29;1-27-24-10-18(6-7-19(24)12-25-27)23-11-22(31-26-23)16-30-15-21(29)14-28-9-8-17-4-2-3-5-20(17)13-28;24-23-22(9-4-11-25-23)18-7-3-8-21(13-18)28-16-20(27)15-26-12-10-17-5-1-2-6-19(17)14-26;26-21(14-25-9-8-17-4-1-2-5-19(17)13-25)15-27-22-7-3-6-18(10-22)20-11-23-16-24-12-20/h3-10,13-14,18,22,31H,11-12,15-17H2,1-2H3;2-11,14-15,24,28H,12-13,16-18H2,1H3;2-12,15,25,29H,13-14,16-18H2,1H3;2-10,13-14,22,28H,11-12,15-17H2,1H3;2-9,11,13-14,22,30H,10,12,15-17H2,1H3;2-7,10-12,21,29H,8-9,13-16H2,1H3;1-9,11,13,20,27H,10,12,14-16H2;1-7,10-12,16,21,26H,8-9,13-15H2
InChIKeySBGSMGOADLWMLR-UHFFFAOYSA-N
MW3226.94 g/mol
LogP30.16
Rot. Bonds52

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-pyridinyl)phenoxy]propan-2-ol;1-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[3-(1-methylindazol-6-yl)-1,2-oxazol-5-yl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrimidin-5-ylphenoxy)propan-2-ol;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;methyl 3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzoate

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-pyridinyl)phenoxy]propan-2-ol;1-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[3-(1-methylindazol-6-yl)-1,2-oxazol-5-yl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrimidin-5-ylphenoxy)propan-2-ol;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;methyl 3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzoate (PubChem CID 160786452) has the molecular formula C198H207F2N19O21 and a molecular weight of 3226.94 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-pyridinyl)phenoxy]propan-2-ol;1-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[3-(1-methylindazol-6-yl)-1,2-oxazol-5-yl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrimidin-5-ylphenoxy)propan-2-ol;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;methyl 3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzoate.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-pyridinyl)phenoxy]propan-2-ol;1-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[3-(1-methylindazol-6-yl)-1,2-oxazol-5-yl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrimidin-5-ylphenoxy)propan-2-ol;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;methyl 3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzoate
PubChem CID160786452
Molecular FormulaC198H207F2N19O21
Molecular Weight3226.94 g/mol
Exact Mass3224.57
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-pyridinyl)phenoxy]propan-2-ol;1-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[3-(1-methylindazol-6-yl)-1,2-oxazol-5-yl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrimidin-5-ylphenoxy)propan-2-ol;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;methyl 3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzoate
SMILESCC(=O)c1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.COC(=O)c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.COc1cccc2c1CCN(CC(O)COc1cccc(-c3ccc4ncn(C)c4c3)c1)C2.Cc1ccc(F)c(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.Cn1ccc2cnc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)nc21.Cn1ncc2ccc(-c3cc(COCC(O)CN4CCc5ccccc5C4)on3)cc21.OC(COc1cccc(-c2cccnc2F)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2cncnc2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C27H29N3O3.C26H27NO4.C26H27NO3.C25H26FNO2.C25H26N4O2.C24H26N4O3.C23H23FN2O2.C22H23N3O2/c1-29-18-28-25-10-9-20(14-26(25)29)19-5-3-7-23(13-19)33-17-22(31)16-30-12-11-24-21(15-30)6-4-8-27(24)32-2;1-30-26(29)22-10-4-8-20(14-22)21-9-5-11-25(15-21)31-18-24(28)17-27-13-12-19-6-2-3-7-23(19)16-27;1-19(28)20-9-11-22(12-10-20)23-7-4-8-26(15-23)30-18-25(29)17-27-14-13-21-5-2-3-6-24(21)16-27;1-18-9-10-25(26)24(13-18)20-7-4-8-23(14-20)29-17-22(28)16-27-12-11-19-5-2-3-6-21(19)15-27;1-28-11-9-20-14-26-24(27-25(20)28)19-7-4-8-23(13-19)31-17-22(30)16-29-12-10-18-5-2-3-6-21(18)15-29;1-27-24-10-18(6-7-19(24)12-25-27)23-11-22(31-26-23)16-30-15-21(29)14-28-9-8-17-4-2-3-5-20(17)13-28;24-23-22(9-4-11-25-23)18-7-3-8-21(13-18)28-16-20(27)15-26-12-10-17-5-1-2-6-19(17)14-26;26-21(14-25-9-8-17-4-1-2-5-19(17)13-25)15-27-22-7-3-6-18(10-22)20-11-23-16-24-12-20/h3-10,13-14,18,22,31H,11-12,15-17H2,1-2H3;2-11,14-15,24,28H,12-13,16-18H2,1H3;2-12,15,25,29H,13-14,16-18H2,1H3;2-10,13-14,22,28H,11-12,15-17H2,1H3;2-9,11,13-14,22,30H,10,12,15-17H2,1H3;2-7,10-12,21,29H,8-9,13-16H2,1H3;1-9,11,13,20,27H,10,12,14-16H2;1-7,10-12,16,21,26H,8-9,13-15H2
InChIKeySBGSMGOADLWMLR-UHFFFAOYSA-N
XLogP30.16
TPSA445.25 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds52
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003226.94
LogP ≤ 530.16
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-pyridinyl)phenoxy]propan-2-ol;1-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[3-(1-methylindazol-6-yl)-1,2-oxazol-5-yl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrimidin-5-ylphenoxy)propan-2-ol;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;methyl 3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzoate with MolForge

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Related Compounds

3-[7-[2-(6,7-dimethylcinnolin-3-yl)ethynyl]-4-methylfuro[2,3-c]pyridin-3-yl]oxy-N,N-dimethylaniline;7-[2-(2,5-dimethylquinazolin-7-yl)ethynyl]-6-methoxy-3-[3-methyl-5-(piperidin-1-ylmethyl)phenoxy]-[1,2]oxazolo[4,5-c]pyridine;7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole
CID 158380271
3-[[3-(1,1-Difluoroethoxy)phenyl]methyl]-7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-1,2-benzoxazole;3-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-1,2-benzoxazole;7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-3-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole;7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole
CID 159291217
3-[1-(1,1-Difluoro-2,2-dimethylpropoxy)ethyl]quinoline;2-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylbenzimidazole;3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-1-methylindazole;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]quinoline;4-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-2-(trifluoromethyl)quinoline;3,3-dimethylbutanoic acid;3,3-dimethylbutoxybenzene;4,4-dimethylpentoxybenzene;1-(4,4-dimethylpentoxy)-2-methoxybenzene;4-(2,2-dimethylpropyl)benzoic acid;3-[3-(2,2-dimethylpropyl)phenyl]-5-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)quinoline;ethyl 3,3-dimethylbutanoate;1-methoxy-2-(2-methoxy-4,4-dimethylpentoxy)benzene
CID 162084366
CID 165088553
CID 165088553
4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-4-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-8-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1H-pyrrolo[3,2-c]pyridin-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-8-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 157272957
4-[4-(benzimidazol-1-yl)-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(4-indazol-1-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-(4-isoquinolin-5-yl-6-methoxy-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylbenzimidazol-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-1-benzofuran-3-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methyl-4-pyridinyl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-4-(2-methylquinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-(6-methoxy-4-quinolin-5-yl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
CID 157380444
1-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-pyridinyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-3-ylphenoxy)propan-2-ol;ethyl 2-[2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetate;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
CID 157389212
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-fluoro-4-pyridinyl)phenoxy]propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-3-methylimidazole-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-[3-(9-methylpurin-2-yl)phenoxy]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;ethyl 2-[2-hydroxy-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 157525104
1-[3-(3-cyclobutylbenzimidazol-5-yl)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,3-dimethylimidazole-4-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;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[6-(1-methylindazol-6-yl)pyrimidin-4-yl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-pyrrolidin-3-ylbenzimidazol-5-yl)phenoxy]propan-2-ol
CID 157544433
cumene;1,3-dimethyl-2-propan-2-ylindole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylindazole;1-methyl-2-propan-2-ylindole;1-methyl-4-propan-2-ylindole;1-methyl-4-propan-2-ylpiperazine;1-methyl-3-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylbenzimidazole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylfuran;1-propan-2-ylimidazole;1-propan-2-ylindazole;5-propan-2-yl-1H-indene;4-propan-2-yl-1H-isoindole;5-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;4-propan-2-yl-1,2-oxazole;3-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-yl-2H-pyrrole;1-propan-2-ylpyrrolidine;5-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;8-propan-2-ylquinoline
CID 157890151
3,21-Dimethyl-14-aza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;3,21-dimethyl-6,14-diaza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;1,11-dimethylpyrazolo[1,5-f]phenanthridin-1-ium;ethane;methane;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;2-methyl-1-(2-methylphenyl)pyrazol-2-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 157900617
12-[4-(2,6-Diphenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-[4-[4-(2-phenylpyrazolo[1,5-c]quinazolin-5-yl)phenyl]phenyl]-[1]benzofuro[2,3-i]phenanthridine;12-(4-pyrido[1,2-b]indazol-8-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine;12-(4-quinolin-2-ylphenyl)-[1]benzofuro[2,3-i]phenanthridine
CID 158240582

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-pyridinyl)phenoxy]propan-2-ol;1-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[3-(1-methylindazol-6-yl)-1,2-oxazol-5-yl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrimidin-5-ylphenoxy)propan-2-ol;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;methyl 3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzoate?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-pyridinyl)phenoxy]propan-2-ol;1-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[3-(1-methylindazol-6-yl)-1,2-oxazol-5-yl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrimidin-5-ylphenoxy)propan-2-ol;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;methyl 3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzoate (CID 160786452) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-pyridinyl)phenoxy]propan-2-ol;1-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[3-(1-methylindazol-6-yl)-1,2-oxazol-5-yl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrimidin-5-ylphenoxy)propan-2-ol;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;methyl 3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzoate.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-pyridinyl)phenoxy]propan-2-ol;1-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[3-(1-methylindazol-6-yl)-1,2-oxazol-5-yl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrimidin-5-ylphenoxy)propan-2-ol;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;methyl 3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzoate?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-pyridinyl)phenoxy]propan-2-ol;1-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[3-(1-methylindazol-6-yl)-1,2-oxazol-5-yl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrimidin-5-ylphenoxy)propan-2-ol;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;methyl 3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzoate is CC(=O)c1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.COC(=O)c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.COc1cccc2c1CCN(CC(O)COc1cccc(-c3ccc4ncn(C)c4c3)c1)C2.Cc1ccc(F)c(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.Cn1ccc2cnc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)nc21.Cn1ncc2ccc(-c3cc(COCC(O)CN4CCc5ccccc5C4)on3)cc21.OC(COc1cccc(-c2cccnc2F)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2cncnc2)c1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-pyridinyl)phenoxy]propan-2-ol;1-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[3-(1-methylindazol-6-yl)-1,2-oxazol-5-yl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrimidin-5-ylphenoxy)propan-2-ol;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;methyl 3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzoate?
The InChIKey is SBGSMGOADLWMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3.C26H27NO4.C26H27NO3.C25H26FNO2.C25H26N4O2.C24H26N4O3.C23H23FN2O2.C22H23N3O2/c1-29-18-28-25-10-9-20(14-26(25)29)19-5-3-7-23(13-19)33-17-22(31)16-30-12-11-24-21(15-30)6-4-8-27(24)32-2;1-30-26(29)22-10-4-8-20(14-22)21-9-5-11-25(15-21)31-18-24(28)17-27-13-12-19-6-2-3-7-23(19)16-27;1-19(28)20-9-11-22(12-10-20)23-7-4-8-26(15-23)30-18-25(29)17-27-14-13-21-5-2-3-6-24(21)16-27;1-18-9-10-25(26)24(13-18)20-7-4-8-23(14-20)29-17-22(28)16-27-12-11-19-5-2-3-6-21(19)15-27;1-28-11-9-20-14-26-24(27-25(20)28)19-7-4-8-23(13-19)31-17-22(30)16-29-12-10-18-5-2-3-6-21(18)15-29;1-27-24-10-18(6-7-19(24)12-25-27)23-11-22(31-26-23)16-30-15-21(29)14-28-9-8-17-4-2-3-5-20(17)13-28;24-23-22(9-4-11-25-23)18-7-3-8-21(13-18)28-16-20(27)15-26-12-10-17-5-1-2-6-19(17)14-26;26-21(14-25-9-8-17-4-1-2-5-19(17)13-25)15-27-22-7-3-6-18(10-22)20-11-23-16-24-12-20/h3-10,13-14,18,22,31H,11-12,15-17H2,1-2H3;2-11,14-15,24,28H,12-13,16-18H2,1H3;2-12,15,25,29H,13-14,16-18H2,1H3;2-10,13-14,22,28H,11-12,15-17H2,1H3;2-9,11,13-14,22,30H,10,12,15-17H2,1H3;2-7,10-12,21,29H,8-9,13-16H2,1H3;1-9,11,13,20,27H,10,12,14-16H2;1-7,10-12,16,21,26H,8-9,13-15H2.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-pyridinyl)phenoxy]propan-2-ol;1-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[3-(1-methylindazol-6-yl)-1,2-oxazol-5-yl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrimidin-5-ylphenoxy)propan-2-ol;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;methyl 3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzoate?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-pyridinyl)phenoxy]propan-2-ol;1-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[3-(1-methylindazol-6-yl)-1,2-oxazol-5-yl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrimidin-5-ylphenoxy)propan-2-ol;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;methyl 3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzoate has a molecular weight of 3226.94 g/mol, XLogP of 30.16, 52 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-5-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluoro-3-pyridinyl)phenoxy]propan-2-ol;1-[4-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]phenyl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[3-(1-methylindazol-6-yl)-1,2-oxazol-5-yl]methoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrimidin-5-ylphenoxy)propan-2-ol;1-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;methyl 3-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzoate is sourced from PubChem (CID 160786452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).