2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-N-methylacetamide;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone;1-[4-[2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylpyrazolo[3,4-b]pyridin-6-yl)anilino]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol

C168H178N24O13 — CID 158835722

IUPAC2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-N-methylacetamide;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone;1-[4-[2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylpyrazolo[3,4-b]pyridin-6-yl)anilino]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol
SMILESCC(=O)N1CCC(n2ccc3cnc(-c4ccnc(NCC(O)CN5CCc6ccccc6C5)c4)nc32)CC1.CNC(=O)Cn1cnc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc21.Cn1cc2ccc(-c3cccc(NCC(O)CN4CCc5ccccc5C4)c3)nc2n1.O=C(Cn1cnc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc21)N1CCCC1.O[C@@H](COc1cccc(-c2cccc3cccnc23)c1)CN1CCc2ccccc2C1.O[C@H](COc1cccc(-c2cccc3cccnc23)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C31H34N4O3.C30H35N7O2.C28H30N4O3.2C27H26N2O2.C25H27N5O/c36-27(19-33-15-12-23-6-1-2-7-26(23)18-33)21-38-28-9-5-8-24(16-28)25-10-11-29-30(17-25)35(22-32-29)20-31(37)34-13-3-4-14-34;1-21(38)36-13-9-26(10-14-36)37-15-8-24-17-33-29(34-30(24)37)23-6-11-31-28(16-23)32-18-27(39)20-35-12-7-22-4-2-3-5-25(22)19-35;1-29-28(34)17-32-19-30-26-10-9-22(14-27(26)32)21-7-4-8-25(13-21)35-18-24(33)16-31-12-11-20-5-2-3-6-23(20)15-31;2*30-24(18-29-15-13-20-6-1-2-7-23(20)17-29)19-31-25-11-3-9-22(16-25)26-12-4-8-21-10-5-14-28-27(21)26;1-29-15-21-9-10-24(27-25(21)28-29)19-7-4-8-22(13-19)26-14-23(31)17-30-12-11-18-5-2-3-6-20(18)16-30/h1-2,5-11,16-17,22,27,36H,3-4,12-15,18-21H2;2-6,8,11,15-17,26-27,39H,7,9-10,12-14,18-20H2,1H3,(H,31,32);2-10,13-14,19,24,33H,11-12,15-18H2,1H3,(H,29,34);2*1-12,14,16,24,30H,13,15,17-19H2;2-10,13,15,23,26,31H,11-12,14,16-17H2,1H3/t;;;2*24-;/m...10./s1
InChIKeyIXPLHJSWFXIWGX-HJAUQZFVSA-N
MW2741.43 g/mol
LogP23.74
Rot. Bonds41

About 2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-N-methylacetamide;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone;1-[4-[2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylpyrazolo[3,4-b]pyridin-6-yl)anilino]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol

2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-N-methylacetamide;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone;1-[4-[2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylpyrazolo[3,4-b]pyridin-6-yl)anilino]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol (PubChem CID 158835722) has the molecular formula C168H178N24O13 and a molecular weight of 2741.43 g/mol. Its IUPAC name is 2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-N-methylacetamide;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone;1-[4-[2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylpyrazolo[3,4-b]pyridin-6-yl)anilino]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-N-methylacetamide;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone;1-[4-[2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylpyrazolo[3,4-b]pyridin-6-yl)anilino]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol
PubChem CID158835722
Molecular FormulaC168H178N24O13
Molecular Weight2741.43 g/mol
Exact Mass2739.40
IUPAC Name2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-N-methylacetamide;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone;1-[4-[2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylpyrazolo[3,4-b]pyridin-6-yl)anilino]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol
SMILESCC(=O)N1CCC(n2ccc3cnc(-c4ccnc(NCC(O)CN5CCc6ccccc6C5)c4)nc32)CC1.CNC(=O)Cn1cnc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc21.Cn1cc2ccc(-c3cccc(NCC(O)CN4CCc5ccccc5C4)c3)nc2n1.O=C(Cn1cnc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc21)N1CCCC1.O[C@@H](COc1cccc(-c2cccc3cccnc23)c1)CN1CCc2ccccc2C1.O[C@H](COc1cccc(-c2cccc3cccnc23)c1)CN1CCc2ccccc2C1
InChIInChI=1S/C31H34N4O3.C30H35N7O2.C28H30N4O3.2C27H26N2O2.C25H27N5O/c36-27(19-33-15-12-23-6-1-2-7-26(23)18-33)21-38-28-9-5-8-24(16-28)25-10-11-29-30(17-25)35(22-32-29)20-31(37)34-13-3-4-14-34;1-21(38)36-13-9-26(10-14-36)37-15-8-24-17-33-29(34-30(24)37)23-6-11-31-28(16-23)32-18-27(39)20-35-12-7-22-4-2-3-5-25(22)19-35;1-29-28(34)17-32-19-30-26-10-9-22(14-27(26)32)21-7-4-8-25(13-21)35-18-24(33)16-31-12-11-20-5-2-3-6-23(20)15-31;2*30-24(18-29-15-13-20-6-1-2-7-23(20)17-29)19-31-25-11-3-9-22(16-25)26-12-4-8-21-10-5-14-28-27(21)26;1-29-15-21-9-10-24(27-25(21)28-29)19-7-4-8-22(13-19)26-14-23(31)17-30-12-11-18-5-2-3-6-20(18)16-30/h1-2,5-11,16-17,22,27,36H,3-4,12-15,18-21H2;2-6,8,11,15-17,26-27,39H,7,9-10,12-14,18-20H2,1H3,(H,31,32);2-10,13-14,19,24,33H,11-12,15-18H2,1H3,(H,29,34);2*1-12,14,16,24,30H,13,15,17-19H2;2-10,13,15,23,26,31H,11-12,14,16-17H2,1H3/t;;;2*24-;/m...10./s1
InChIKeyIXPLHJSWFXIWGX-HJAUQZFVSA-N
XLogP23.74
TPSA407.25 Ų
H-Bond Donors9
H-Bond Acceptors34
Rotatable Bonds41
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002741.43
LogP ≤ 523.74
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1034

Analyze 2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-N-methylacetamide;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone;1-[4-[2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylpyrazolo[3,4-b]pyridin-6-yl)anilino]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-N-methylacetamide;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone;1-[4-[2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylpyrazolo[3,4-b]pyridin-6-yl)anilino]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol?
The IUPAC name of 2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-N-methylacetamide;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone;1-[4-[2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylpyrazolo[3,4-b]pyridin-6-yl)anilino]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol (CID 158835722) is 2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-N-methylacetamide;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone;1-[4-[2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylpyrazolo[3,4-b]pyridin-6-yl)anilino]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol.
What is the SMILES notation for 2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-N-methylacetamide;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone;1-[4-[2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylpyrazolo[3,4-b]pyridin-6-yl)anilino]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol?
The canonical SMILES for 2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-N-methylacetamide;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone;1-[4-[2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylpyrazolo[3,4-b]pyridin-6-yl)anilino]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol is CC(=O)N1CCC(n2ccc3cnc(-c4ccnc(NCC(O)CN5CCc6ccccc6C5)c4)nc32)CC1.CNC(=O)Cn1cnc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc21.Cn1cc2ccc(-c3cccc(NCC(O)CN4CCc5ccccc5C4)c3)nc2n1.O=C(Cn1cnc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc21)N1CCCC1.O[C@@H](COc1cccc(-c2cccc3cccnc23)c1)CN1CCc2ccccc2C1.O[C@H](COc1cccc(-c2cccc3cccnc23)c1)CN1CCc2ccccc2C1.
What is the InChIKey of 2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-N-methylacetamide;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone;1-[4-[2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylpyrazolo[3,4-b]pyridin-6-yl)anilino]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol?
The InChIKey is IXPLHJSWFXIWGX-HJAUQZFVSA-N. The full InChI is InChI=1S/C31H34N4O3.C30H35N7O2.C28H30N4O3.2C27H26N2O2.C25H27N5O/c36-27(19-33-15-12-23-6-1-2-7-26(23)18-33)21-38-28-9-5-8-24(16-28)25-10-11-29-30(17-25)35(22-32-29)20-31(37)34-13-3-4-14-34;1-21(38)36-13-9-26(10-14-36)37-15-8-24-17-33-29(34-30(24)37)23-6-11-31-28(16-23)32-18-27(39)20-35-12-7-22-4-2-3-5-25(22)19-35;1-29-28(34)17-32-19-30-26-10-9-22(14-27(26)32)21-7-4-8-25(13-21)35-18-24(33)16-31-12-11-20-5-2-3-6-23(20)15-31;2*30-24(18-29-15-13-20-6-1-2-7-23(20)17-29)19-31-25-11-3-9-22(16-25)26-12-4-8-21-10-5-14-28-27(21)26;1-29-15-21-9-10-24(27-25(21)28-29)19-7-4-8-22(13-19)26-14-23(31)17-30-12-11-18-5-2-3-6-20(18)16-30/h1-2,5-11,16-17,22,27,36H,3-4,12-15,18-21H2;2-6,8,11,15-17,26-27,39H,7,9-10,12-14,18-20H2,1H3,(H,31,32);2-10,13-14,19,24,33H,11-12,15-18H2,1H3,(H,29,34);2*1-12,14,16,24,30H,13,15,17-19H2;2-10,13,15,23,26,31H,11-12,14,16-17H2,1H3/t;;;2*24-;/m...10./s1.
What are the key properties of 2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-N-methylacetamide;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone;1-[4-[2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylpyrazolo[3,4-b]pyridin-6-yl)anilino]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol?
2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-N-methylacetamide;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone;1-[4-[2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylpyrazolo[3,4-b]pyridin-6-yl)anilino]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol has a molecular weight of 2741.43 g/mol, XLogP of 23.74, 41 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-N-methylacetamide;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-pyrrolidin-1-ylethanone;1-[4-[2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(2-methylpyrazolo[3,4-b]pyridin-6-yl)anilino]propan-2-ol;(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol;(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-quinolin-8-ylphenoxy)propan-2-ol is sourced from PubChem (CID 158835722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).