1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,6-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methoxynaphthalen-2-yl)methoxy]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-3-ylmethoxy)propan-2-ol

C168H187Cl5F2N16O16 — CID 159239554

IUPAC1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,6-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methoxynaphthalen-2-yl)methoxy]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-3-ylmethoxy)propan-2-ol
SMILESCOc1c(COCC(O)CN2CCc3ccccc3C2)ccc2ccccc12.Cn1cnc2ccc(-c3cccc(OCC(O)CN4Cc5ccccc5C(F)(F)C4)c3)cc21.Cn1cnc2ccc(-c3ccnc(NC[C@@H](O)CN4CCc5ccccc5C4)c3)cc21.OC(COCc1c(Cl)cccc1Cl)CN1CCc2ccccc2C1.OC(COCc1ccc(Cl)cc1)CN1CCc2ccccc2C1.OC(COCc1ccc(Cl)cc1Cl)CN1CCc2ccccc2C1.OC(COCc1ccccn1)CN1CCc2ccccc2C1.OC(COCc1cccnc1)CN1CCc2ccccc2C1
InChIInChI=1S/C26H25F2N3O2.C25H27N5O.C24H27NO3.2C19H21Cl2NO2.C19H22ClNO2.2C18H22N2O2/c1-30-17-29-24-10-9-19(12-25(24)30)18-6-4-7-22(11-18)33-15-21(32)14-31-13-20-5-2-3-8-23(20)26(27,28)16-31;1-29-17-28-23-7-6-19(12-24(23)29)20-8-10-26-25(13-20)27-14-22(31)16-30-11-9-18-4-2-3-5-21(18)15-30;1-27-24-21(11-10-19-7-4-5-9-23(19)24)16-28-17-22(26)15-25-13-12-18-6-2-3-8-20(18)14-25;20-18-6-3-7-19(21)17(18)13-24-12-16(23)11-22-9-8-14-4-1-2-5-15(14)10-22;20-17-6-5-16(19(21)9-17)12-24-13-18(23)11-22-8-7-14-3-1-2-4-15(14)10-22;20-18-7-5-15(6-8-18)13-23-14-19(22)12-21-10-9-16-3-1-2-4-17(16)11-21;21-18(14-22-13-15-4-3-8-19-10-15)12-20-9-7-16-5-1-2-6-17(16)11-20;21-18(14-22-13-17-7-3-4-9-19-17)12-20-10-8-15-5-1-2-6-16(15)11-20/h2-12,17,21,32H,13-16H2,1H3;2-8,10,12-13,17,22,31H,9,11,14-16H2,1H3,(H,26,27);2-11,22,26H,12-17H2,1H3;1-7,16,23H,8-13H2;1-6,9,18,23H,7-8,10-13H2;1-8,19,22H,9-14H2;1-6,8,10,18,21H,7,9,11-14H2;1-7,9,18,21H,8,10-14H2/t;22-;;;;;;/m.1....../s1
InChIKeyKTXCZEXZWYXOSD-ONMSWMTISA-N
MW2901.70 g/mol
LogP27.01
Rot. Bonds49

About 1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,6-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methoxynaphthalen-2-yl)methoxy]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-3-ylmethoxy)propan-2-ol

1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,6-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methoxynaphthalen-2-yl)methoxy]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-3-ylmethoxy)propan-2-ol (PubChem CID 159239554) has the molecular formula C168H187Cl5F2N16O16 and a molecular weight of 2901.70 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,6-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methoxynaphthalen-2-yl)methoxy]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-3-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,6-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methoxynaphthalen-2-yl)methoxy]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-3-ylmethoxy)propan-2-ol
PubChem CID159239554
Molecular FormulaC168H187Cl5F2N16O16
Molecular Weight2901.70 g/mol
Exact Mass2897.27
IUPAC Name1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,6-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methoxynaphthalen-2-yl)methoxy]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-3-ylmethoxy)propan-2-ol
SMILESCOc1c(COCC(O)CN2CCc3ccccc3C2)ccc2ccccc12.Cn1cnc2ccc(-c3cccc(OCC(O)CN4Cc5ccccc5C(F)(F)C4)c3)cc21.Cn1cnc2ccc(-c3ccnc(NC[C@@H](O)CN4CCc5ccccc5C4)c3)cc21.OC(COCc1c(Cl)cccc1Cl)CN1CCc2ccccc2C1.OC(COCc1ccc(Cl)cc1)CN1CCc2ccccc2C1.OC(COCc1ccc(Cl)cc1Cl)CN1CCc2ccccc2C1.OC(COCc1ccccn1)CN1CCc2ccccc2C1.OC(COCc1cccnc1)CN1CCc2ccccc2C1
InChIInChI=1S/C26H25F2N3O2.C25H27N5O.C24H27NO3.2C19H21Cl2NO2.C19H22ClNO2.2C18H22N2O2/c1-30-17-29-24-10-9-19(12-25(24)30)18-6-4-7-22(11-18)33-15-21(32)14-31-13-20-5-2-3-8-23(20)26(27,28)16-31;1-29-17-28-23-7-6-19(12-24(23)29)20-8-10-26-25(13-20)27-14-22(31)16-30-11-9-18-4-2-3-5-21(18)15-30;1-27-24-21(11-10-19-7-4-5-9-23(19)24)16-28-17-22(26)15-25-13-12-18-6-2-3-8-20(18)14-25;20-18-6-3-7-19(21)17(18)13-24-12-16(23)11-22-9-8-14-4-1-2-5-15(14)10-22;20-17-6-5-16(19(21)9-17)12-24-13-18(23)11-22-8-7-14-3-1-2-4-15(14)10-22;20-18-7-5-15(6-8-18)13-23-14-19(22)12-21-10-9-16-3-1-2-4-17(16)11-21;21-18(14-22-13-15-4-3-8-19-10-15)12-20-9-7-16-5-1-2-6-17(16)11-20;21-18(14-22-13-17-7-3-4-9-19-17)12-20-10-8-15-5-1-2-6-16(15)11-20/h2-12,17,21,32H,13-16H2,1H3;2-8,10,12-13,17,22,31H,9,11,14-16H2,1H3,(H,26,27);2-11,22,26H,12-17H2,1H3;1-7,16,23H,8-13H2;1-6,9,18,23H,7-8,10-13H2;1-8,19,22H,9-14H2;1-6,8,10,18,21H,7,9,11-14H2;1-7,9,18,21H,8,10-14H2/t;22-;;;;;;/m.1....../s1
InChIKeyKTXCZEXZWYXOSD-ONMSWMTISA-N
XLogP27.01
TPSA347.94 Ų
H-Bond Donors9
H-Bond Acceptors32
Rotatable Bonds49
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002901.70
LogP ≤ 527.01
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1032

Analyze 1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,6-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methoxynaphthalen-2-yl)methoxy]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-3-ylmethoxy)propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-[3-(3-cyclobutylbenzimidazol-5-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(3-cyclopentylbenzimidazol-5-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(1-methylazetidin-3-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[2-(3-methylbenzimidazol-5-yl)-4-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylpyrazolo[3,4-b]pyridin-6-yl)phenoxy]propan-2-ol;1-(1,1-dimethyl-3,4-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 161040706
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]amino]propan-2-ol
CID 90241740
(2R)-1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 878733
1-[3-(3-methylbenzimidazol-5-yl)phenoxy]-3-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 90335156
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methoxypyrimidin-5-yl)phenoxy]propan-2-ol
CID 90335168
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(2-methylheptan-4-yl)benzimidazol-5-yl]phenoxy]propan-2-ol
CID 144654953
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-piperidin-4-ylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol
CID 90335455
1-[3-[3-chloro-5-(1,1-difluoroethyl)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 90335271
2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-methylindolizin-6-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(oxetan-3-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-[3-(oxetan-3-yl)benzimidazol-5-yl]-2-pyridinyl]amino]propan-2-ol
CID 158049337
N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-[2-(dimethylsulfamoyl)phenoxy]acetamide;N-[3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-(3-pyridin-2-ylphenoxy)acetamide;N-[(2R)-3-(1,3-dihydroisoindol-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;1-(1,3-dihydroisoindol-2-yl)-3-[4-[3-[(4-methoxyphenyl)methyl]benzimidazol-5-yl]phenoxy]propan-2-ol;(2R)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;(2S)-1-(1,3-dihydroisoindol-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol
CID 159534710
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(1-methylindazol-6-yl)-2-pyridinyl]oxy]propan-2-ol
CID 140928556
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-(pyridin-3-ylmethyl)urea
CID 110893301

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,6-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methoxynaphthalen-2-yl)methoxy]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-3-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,6-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methoxynaphthalen-2-yl)methoxy]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-3-ylmethoxy)propan-2-ol (CID 159239554) is 1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,6-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methoxynaphthalen-2-yl)methoxy]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-3-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,6-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methoxynaphthalen-2-yl)methoxy]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-3-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,6-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methoxynaphthalen-2-yl)methoxy]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-3-ylmethoxy)propan-2-ol is COc1c(COCC(O)CN2CCc3ccccc3C2)ccc2ccccc12.Cn1cnc2ccc(-c3cccc(OCC(O)CN4Cc5ccccc5C(F)(F)C4)c3)cc21.Cn1cnc2ccc(-c3ccnc(NC[C@@H](O)CN4CCc5ccccc5C4)c3)cc21.OC(COCc1c(Cl)cccc1Cl)CN1CCc2ccccc2C1.OC(COCc1ccc(Cl)cc1)CN1CCc2ccccc2C1.OC(COCc1ccc(Cl)cc1Cl)CN1CCc2ccccc2C1.OC(COCc1ccccn1)CN1CCc2ccccc2C1.OC(COCc1cccnc1)CN1CCc2ccccc2C1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,6-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methoxynaphthalen-2-yl)methoxy]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-3-ylmethoxy)propan-2-ol?
The InChIKey is KTXCZEXZWYXOSD-ONMSWMTISA-N. The full InChI is InChI=1S/C26H25F2N3O2.C25H27N5O.C24H27NO3.2C19H21Cl2NO2.C19H22ClNO2.2C18H22N2O2/c1-30-17-29-24-10-9-19(12-25(24)30)18-6-4-7-22(11-18)33-15-21(32)14-31-13-20-5-2-3-8-23(20)26(27,28)16-31;1-29-17-28-23-7-6-19(12-24(23)29)20-8-10-26-25(13-20)27-14-22(31)16-30-11-9-18-4-2-3-5-21(18)15-30;1-27-24-21(11-10-19-7-4-5-9-23(19)24)16-28-17-22(26)15-25-13-12-18-6-2-3-8-20(18)14-25;20-18-6-3-7-19(21)17(18)13-24-12-16(23)11-22-9-8-14-4-1-2-5-15(14)10-22;20-17-6-5-16(19(21)9-17)12-24-13-18(23)11-22-8-7-14-3-1-2-4-15(14)10-22;20-18-7-5-15(6-8-18)13-23-14-19(22)12-21-10-9-16-3-1-2-4-17(16)11-21;21-18(14-22-13-15-4-3-8-19-10-15)12-20-9-7-16-5-1-2-6-17(16)11-20;21-18(14-22-13-17-7-3-4-9-19-17)12-20-10-8-15-5-1-2-6-16(15)11-20/h2-12,17,21,32H,13-16H2,1H3;2-8,10,12-13,17,22,31H,9,11,14-16H2,1H3,(H,26,27);2-11,22,26H,12-17H2,1H3;1-7,16,23H,8-13H2;1-6,9,18,23H,7-8,10-13H2;1-8,19,22H,9-14H2;1-6,8,10,18,21H,7,9,11-14H2;1-7,9,18,21H,8,10-14H2/t;22-;;;;;;/m.1....../s1.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,6-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methoxynaphthalen-2-yl)methoxy]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-3-ylmethoxy)propan-2-ol?
1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,6-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methoxynaphthalen-2-yl)methoxy]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-3-ylmethoxy)propan-2-ol has a molecular weight of 2901.70 g/mol, XLogP of 27.01, 49 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,4-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[(2,6-dichlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-3-[3-(3-methylbenzimidazol-5-yl)phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(1-methoxynaphthalen-2-yl)methoxy]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(3-methylbenzimidazol-5-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethoxy)propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-3-ylmethoxy)propan-2-ol is sourced from PubChem (CID 159239554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).