1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[4-(dimethylamino)phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluorophenyl)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-(2-methoxypyrimidin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrazin-2-ylphenoxy)propan-2-ol

C178H198FN15O17 — CID 158818664

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[4-(dimethylamino)phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluorophenyl)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-(2-methoxypyrimidin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrazin-2-ylphenoxy)propan-2-ol
SMILESCC(=O)c1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.CC(C)(C)OCc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.CN(C)c1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.CN1CCN(c2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cn2)CC1.COc1ncc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cn1.OC(COc1cccc(-c2ccccc2F)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2cnccn2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C29H35NO3.C28H34N4O2.C26H30N2O2.C26H27NO3.C24H24FNO2.C23H25N3O3.C22H23N3O2/c1-29(2,3)33-20-22-8-6-11-24(16-22)25-12-7-13-28(17-25)32-21-27(31)19-30-15-14-23-9-4-5-10-26(23)18-30;1-30-13-15-32(16-14-30)28-10-9-24(18-29-28)23-7-4-8-27(17-23)34-21-26(33)20-31-12-11-22-5-2-3-6-25(22)19-31;1-27(2)24-12-10-21(11-13-24)22-8-5-9-26(16-22)30-19-25(29)18-28-15-14-20-6-3-4-7-23(20)17-28;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;25-24-11-4-3-10-23(24)19-8-5-9-22(14-19)28-17-21(27)16-26-13-12-18-6-1-2-7-20(18)15-26;1-28-23-24-12-20(13-25-23)18-7-4-8-22(11-18)29-16-21(27)15-26-10-9-17-5-2-3-6-19(17)14-26;26-20(15-25-11-8-17-4-1-2-5-19(17)14-25)16-27-21-7-3-6-18(12-21)22-13-23-9-10-24-22/h4-13,16-17,27,31H,14-15,18-21H2,1-3H3;2-10,17-18,26,33H,11-16,19-21H2,1H3;3-13,16,25,29H,14-15,17-19H2,1-2H3;2-12,15,25,29H,13-14,16-18H2,1H3;1-11,14,21,27H,12-13,15-17H2;2-8,11-13,21,27H,9-10,14-16H2,1H3;1-7,9-10,12-13,20,26H,8,11,14-16H2
InChIKeyIVOZIILKZJWHTD-UHFFFAOYSA-N
MW2838.63 g/mol
LogP27.52
Rot. Bonds48

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[4-(dimethylamino)phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluorophenyl)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-(2-methoxypyrimidin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrazin-2-ylphenoxy)propan-2-ol

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[4-(dimethylamino)phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluorophenyl)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-(2-methoxypyrimidin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrazin-2-ylphenoxy)propan-2-ol (PubChem CID 158818664) has the molecular formula C178H198FN15O17 and a molecular weight of 2838.63 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[4-(dimethylamino)phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluorophenyl)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-(2-methoxypyrimidin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrazin-2-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[4-(dimethylamino)phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluorophenyl)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-(2-methoxypyrimidin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrazin-2-ylphenoxy)propan-2-ol
PubChem CID158818664
Molecular FormulaC178H198FN15O17
Molecular Weight2838.63 g/mol
Exact Mass2836.51
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[4-(dimethylamino)phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluorophenyl)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-(2-methoxypyrimidin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrazin-2-ylphenoxy)propan-2-ol
SMILESCC(=O)c1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.CC(C)(C)OCc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.CN(C)c1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.CN1CCN(c2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cn2)CC1.COc1ncc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cn1.OC(COc1cccc(-c2ccccc2F)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2cnccn2)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C29H35NO3.C28H34N4O2.C26H30N2O2.C26H27NO3.C24H24FNO2.C23H25N3O3.C22H23N3O2/c1-29(2,3)33-20-22-8-6-11-24(16-22)25-12-7-13-28(17-25)32-21-27(31)19-30-15-14-23-9-4-5-10-26(23)18-30;1-30-13-15-32(16-14-30)28-10-9-24(18-29-28)23-7-4-8-27(17-23)34-21-26(33)20-31-12-11-22-5-2-3-6-25(22)19-31;1-27(2)24-12-10-21(11-13-24)22-8-5-9-26(16-22)30-19-25(29)18-28-15-14-20-6-3-4-7-23(20)17-28;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;25-24-11-4-3-10-23(24)19-8-5-9-22(14-19)28-17-21(27)16-26-13-12-18-6-1-2-7-20(18)15-26;1-28-23-24-12-20(13-25-23)18-7-4-8-22(11-18)29-16-21(27)15-26-10-9-17-5-2-3-6-19(17)14-26;26-20(15-25-11-8-17-4-1-2-5-19(17)14-25)16-27-21-7-3-6-18(12-21)22-13-23-9-10-24-22/h4-13,16-17,27,31H,14-15,18-21H2,1-3H3;2-10,17-18,26,33H,11-16,19-21H2,1H3;3-13,16,25,29H,14-15,17-19H2,1-2H3;2-12,15,25,29H,13-14,16-18H2,1H3;1-11,14,21,27H,12-13,15-17H2;2-8,11-13,21,27H,9-10,14-16H2,1H3;1-7,9-10,12-13,20,26H,8,11,14-16H2
InChIKeyIVOZIILKZJWHTD-UHFFFAOYSA-N
XLogP27.52
TPSA338.60 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds48
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002838.63
LogP ≤ 527.52
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[4-(dimethylamino)phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluorophenyl)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-(2-methoxypyrimidin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrazin-2-ylphenoxy)propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

[4-[1-[4-[2-[4-(5-Aminopyrazin-2-yl)-3-fluorophenyl]benzoyl]morpholin-2-yl]ethoxy]-2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]-[2-(1-hydroxyethyl)morpholin-4-yl]methanone
CID 123388510
N-[2-fluoro-5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[2-[(2S)-1-hydroxypropan-2-yl]oxy-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157591436
2-(2-cyanopropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-(5-ethoxy-6-morpholin-4-yl-2-pyridinyl)-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 158114370
2-(1,1-difluoroethyl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;2-(2-fluoropropan-2-yl)-N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-[(2R)-1-hydroxypropan-2-yl]oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 158572330
1-[3-[2-chloro-4-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(3-chloro-5-methoxyphenyl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-[4-(1,1-difluoroethyl)-2-(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]-piperidin-1-ylmethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylphenoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-prop-2-ynylphenyl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyridin-2-ylphenoxy)propan-2-ol;methane
CID 159699049
N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(4-fluorooxan-4-yl)-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 159702516
2-(1,1-difluoropropyl)-N-[5-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethoxy)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 160661326
4-[4-[4-(1,1-Difluoroethyl)phenyl]-6-methylpyrimidin-2-yl]benzoic acid;3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-2-yl]benzoic acid;3-[4-(2-fluorophenyl)-5-methylpyrimidin-2-yl]benzoic acid;4-[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]benzoic acid;3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid;3-[5-methyl-4-(4-methylphenyl)pyrimidin-2-yl]benzoic acid
CID 160822473
N-[5-[6-(1-acetylpiperidin-4-yl)oxy-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;2-[3-(difluoromethoxy)phenyl]-1-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]ethanone;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;1-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanone;1-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[2-morpholin-4-yl-6-(2-pyrrolidin-1-ylethoxy)-4-pyridinyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 160825616
7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrazin-2-ylmethyl)quinolin-2-one;7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyridin-3-ylmethyl)quinolin-2-one;7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrimidin-5-ylmethyl)quinolin-2-one;7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]quinolin-2-one
CID 161188770
4-[7-(4-Tert-butylphenyl)quinoxalin-2-yl]morpholine;4-[7-(4-methoxy-2-methylphenyl)quinoxalin-2-yl]morpholine;1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone
CID 87243938
1-[(3-methoxyphenyl)methyl]-7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)quinolin-2-one;7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(3-phenylpropyl)quinolin-2-one;7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrazin-2-ylmethyl)quinolin-2-one;7-methyl-6-[(1S)-1-[(2-methylpropan-2-yl)oxy]-2-oxopropyl]-5-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-1-(pyrimidin-5-ylmethyl)quinolin-2-one
CID 157406784

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[4-(dimethylamino)phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluorophenyl)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-(2-methoxypyrimidin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrazin-2-ylphenoxy)propan-2-ol?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[4-(dimethylamino)phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluorophenyl)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-(2-methoxypyrimidin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrazin-2-ylphenoxy)propan-2-ol (CID 158818664) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[4-(dimethylamino)phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluorophenyl)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-(2-methoxypyrimidin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrazin-2-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[4-(dimethylamino)phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluorophenyl)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-(2-methoxypyrimidin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrazin-2-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[4-(dimethylamino)phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluorophenyl)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-(2-methoxypyrimidin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrazin-2-ylphenoxy)propan-2-ol is CC(=O)c1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.CC(C)(C)OCc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1.CN(C)c1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1.CN1CCN(c2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cn2)CC1.COc1ncc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cn1.OC(COc1cccc(-c2ccccc2F)c1)CN1CCc2ccccc2C1.OC(COc1cccc(-c2cnccn2)c1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[4-(dimethylamino)phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluorophenyl)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-(2-methoxypyrimidin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrazin-2-ylphenoxy)propan-2-ol?
The InChIKey is IVOZIILKZJWHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO3.C28H34N4O2.C26H30N2O2.C26H27NO3.C24H24FNO2.C23H25N3O3.C22H23N3O2/c1-29(2,3)33-20-22-8-6-11-24(16-22)25-12-7-13-28(17-25)32-21-27(31)19-30-15-14-23-9-4-5-10-26(23)18-30;1-30-13-15-32(16-14-30)28-10-9-24(18-29-28)23-7-4-8-27(17-23)34-21-26(33)20-31-12-11-22-5-2-3-6-25(22)19-31;1-27(2)24-12-10-21(11-13-24)22-8-5-9-26(16-22)30-19-25(29)18-28-15-14-20-6-3-4-7-23(20)17-28;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;25-24-11-4-3-10-23(24)19-8-5-9-22(14-19)28-17-21(27)16-26-13-12-18-6-1-2-7-20(18)15-26;1-28-23-24-12-20(13-25-23)18-7-4-8-22(11-18)29-16-21(27)15-26-10-9-17-5-2-3-6-19(17)14-26;26-20(15-25-11-8-17-4-1-2-5-19(17)14-25)16-27-21-7-3-6-18(12-21)22-13-23-9-10-24-22/h4-13,16-17,27,31H,14-15,18-21H2,1-3H3;2-10,17-18,26,33H,11-16,19-21H2,1H3;3-13,16,25,29H,14-15,17-19H2,1-2H3;2-12,15,25,29H,13-14,16-18H2,1H3;1-11,14,21,27H,12-13,15-17H2;2-8,11-13,21,27H,9-10,14-16H2,1H3;1-7,9-10,12-13,20,26H,8,11,14-16H2.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[4-(dimethylamino)phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluorophenyl)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-(2-methoxypyrimidin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrazin-2-ylphenoxy)propan-2-ol?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[4-(dimethylamino)phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluorophenyl)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-(2-methoxypyrimidin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrazin-2-ylphenoxy)propan-2-ol has a molecular weight of 2838.63 g/mol, XLogP of 27.52, 48 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[4-(dimethylamino)phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-fluorophenyl)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-(2-methoxypyrimidin-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-[(2-methylpropan-2-yl)oxymethyl]phenyl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-pyrazin-2-ylphenoxy)propan-2-ol is sourced from PubChem (CID 158818664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).