N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindazol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide

C161H194N24O25S2 — CID 158711186

IUPACN-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindazol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide
SMILESCC(Oc1ccccc1NS(C)(=O)=O)C(=O)CCC(O)CN1CCc2ccccc2C1.CN(c1ccccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1)S(C)(=O)=O.Cc1nn(C)c2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12.Cn1cnc(-c2ccccc2OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.Cn1cncc1-c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.Cn1ncc2ccc(OCC(=O)NC[C@H](O)CN3CCc4ccccc4C3)cc21.O=C(COc1cccc2cnncc12)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/2C24H28N4O3.C23H28N4O3.2C23H30N2O5S.C22H26N4O3.C22H24N4O3/c1-27-17-25-13-22(27)21-8-4-5-9-23(21)31-16-24(30)26-12-20(29)15-28-11-10-18-6-2-3-7-19(18)14-28;1-27-15-22(26-17-27)21-8-4-5-9-23(21)31-16-24(30)25-12-20(29)14-28-11-10-18-6-2-3-7-19(18)13-28;1-16-23-20(26(2)25-16)8-5-9-21(23)30-15-22(29)24-12-19(28)14-27-11-10-17-6-3-4-7-18(17)13-27;1-24(31(2,28)29)22-9-5-6-10-23(22)30-17-21(27)12-11-20(26)16-25-14-13-18-7-3-4-8-19(18)15-25;1-17(30-23-10-6-5-9-21(23)24-31(2,28)29)22(27)12-11-20(26)16-25-14-13-18-7-3-4-8-19(18)15-25;1-25-21-10-20(7-6-17(21)11-24-25)29-15-22(28)23-12-19(27)14-26-9-8-16-4-2-3-5-18(16)13-26;27-19(14-26-9-8-16-4-1-2-5-18(16)13-26)11-23-22(28)15-29-21-7-3-6-17-10-24-25-12-20(17)21/h2-9,13,17,20,29H,10-12,14-16H2,1H3,(H,26,30);2-9,15,17,20,29H,10-14,16H2,1H3,(H,25,30);3-9,19,28H,10-15H2,1-2H3,(H,24,29);3-10,20,26H,11-17H2,1-2H3;3-10,17,20,24,26H,11-16H2,1-2H3;2-7,10-11,19,27H,8-9,12-15H2,1H3,(H,23,28);1-7,10,12,19,27H,8-9,11,13-15H2,(H,23,28)/t;;;;;19-;/m.....0./s1
InChIKeyIISUZBDAUHMTAJ-UCFSGKDUSA-N
MW2929.60 g/mol
LogP13.65
Rot. Bonds57

About N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindazol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide

N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindazol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide (PubChem CID 158711186) has the molecular formula C161H194N24O25S2 and a molecular weight of 2929.60 g/mol. Its IUPAC name is N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindazol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide.

Molecular Properties

Compound NameN-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindazol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide
PubChem CID158711186
Molecular FormulaC161H194N24O25S2
Molecular Weight2929.60 g/mol
Exact Mass2927.41
IUPAC NameN-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindazol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide
SMILESCC(Oc1ccccc1NS(C)(=O)=O)C(=O)CCC(O)CN1CCc2ccccc2C1.CN(c1ccccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1)S(C)(=O)=O.Cc1nn(C)c2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12.Cn1cnc(-c2ccccc2OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.Cn1cncc1-c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.Cn1ncc2ccc(OCC(=O)NC[C@H](O)CN3CCc4ccccc4C3)cc21.O=C(COc1cccc2cnncc12)NCC(O)CN1CCc2ccccc2C1
InChIInChI=1S/2C24H28N4O3.C23H28N4O3.2C23H30N2O5S.C22H26N4O3.C22H24N4O3/c1-27-17-25-13-22(27)21-8-4-5-9-23(21)31-16-24(30)26-12-20(29)15-28-11-10-18-6-2-3-7-19(18)14-28;1-27-15-22(26-17-27)21-8-4-5-9-23(21)31-16-24(30)25-12-20(29)14-28-11-10-18-6-2-3-7-19(18)13-28;1-16-23-20(26(2)25-16)8-5-9-21(23)30-15-22(29)24-12-19(28)14-27-11-10-17-6-3-4-7-18(17)13-27;1-24(31(2,28)29)22-9-5-6-10-23(22)30-17-21(27)12-11-20(26)16-25-14-13-18-7-3-4-8-19(18)15-25;1-17(30-23-10-6-5-9-21(23)24-31(2,28)29)22(27)12-11-20(26)16-25-14-13-18-7-3-4-8-19(18)15-25;1-25-21-10-20(7-6-17(21)11-24-25)29-15-22(28)23-12-19(27)14-26-9-8-16-4-2-3-5-18(16)13-26;27-19(14-26-9-8-16-4-1-2-5-18(16)13-26)11-23-22(28)15-29-21-7-3-6-17-10-24-25-12-20(17)21/h2-9,13,17,20,29H,10-12,14-16H2,1H3,(H,26,30);2-9,15,17,20,29H,10-14,16H2,1H3,(H,25,30);3-9,19,28H,10-15H2,1-2H3,(H,24,29);3-10,20,26H,11-17H2,1-2H3;3-10,17,20,24,26H,11-16H2,1-2H3;2-7,10-11,19,27H,8-9,12-15H2,1H3,(H,23,28);1-7,10,12,19,27H,8-9,11,13-15H2,(H,23,28)/t;;;;;19-;/m.....0./s1
InChIKeyIISUZBDAUHMTAJ-UCFSGKDUSA-N
XLogP13.65
TPSA589.15 Ų
H-Bond Donors13
H-Bond Acceptors42
Rotatable Bonds57
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002929.60
LogP ≤ 513.65
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1042

Analyze N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindazol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindazol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide?
The IUPAC name of N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindazol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide (CID 158711186) is N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindazol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide.
What is the SMILES notation for N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindazol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide?
The canonical SMILES for N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindazol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide is CC(Oc1ccccc1NS(C)(=O)=O)C(=O)CCC(O)CN1CCc2ccccc2C1.CN(c1ccccc1OCC(=O)CCC(O)CN1CCc2ccccc2C1)S(C)(=O)=O.Cc1nn(C)c2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12.Cn1cnc(-c2ccccc2OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.Cn1cncc1-c1ccccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.Cn1ncc2ccc(OCC(=O)NC[C@H](O)CN3CCc4ccccc4C3)cc21.O=C(COc1cccc2cnncc12)NCC(O)CN1CCc2ccccc2C1.
What is the InChIKey of N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindazol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide?
The InChIKey is IISUZBDAUHMTAJ-UCFSGKDUSA-N. The full InChI is InChI=1S/2C24H28N4O3.C23H28N4O3.2C23H30N2O5S.C22H26N4O3.C22H24N4O3/c1-27-17-25-13-22(27)21-8-4-5-9-23(21)31-16-24(30)26-12-20(29)15-28-11-10-18-6-2-3-7-19(18)14-28;1-27-15-22(26-17-27)21-8-4-5-9-23(21)31-16-24(30)25-12-20(29)14-28-11-10-18-6-2-3-7-19(18)13-28;1-16-23-20(26(2)25-16)8-5-9-21(23)30-15-22(29)24-12-19(28)14-27-11-10-17-6-3-4-7-18(17)13-27;1-24(31(2,28)29)22-9-5-6-10-23(22)30-17-21(27)12-11-20(26)16-25-14-13-18-7-3-4-8-19(18)15-25;1-17(30-23-10-6-5-9-21(23)24-31(2,28)29)22(27)12-11-20(26)16-25-14-13-18-7-3-4-8-19(18)15-25;1-25-21-10-20(7-6-17(21)11-24-25)29-15-22(28)23-12-19(27)14-26-9-8-16-4-2-3-5-18(16)13-26;27-19(14-26-9-8-16-4-1-2-5-18(16)13-26)11-23-22(28)15-29-21-7-3-6-17-10-24-25-12-20(17)21/h2-9,13,17,20,29H,10-12,14-16H2,1H3,(H,26,30);2-9,15,17,20,29H,10-14,16H2,1H3,(H,25,30);3-9,19,28H,10-15H2,1-2H3,(H,24,29);3-10,20,26H,11-17H2,1-2H3;3-10,17,20,24,26H,11-16H2,1-2H3;2-7,10-11,19,27H,8-9,12-15H2,1H3,(H,23,28);1-7,10,12,19,27H,8-9,11,13-15H2,(H,23,28)/t;;;;;19-;/m.....0./s1.
What are the key properties of N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindazol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide?
N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindazol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide has a molecular weight of 2929.60 g/mol, XLogP of 13.65, 57 rotatable bonds, 13 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-(3,4-dihydro-1H-isoquinolin-2-yl)-6-hydroxy-3-oxoheptan-2-yl]oxyphenyl]methanesulfonamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]-N-methylmethanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindazol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-4-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(3-methylimidazol-4-yl)phenoxy]acetamide;N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1-methylindazol-6-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-phthalazin-5-yloxyacetamide is sourced from PubChem (CID 158711186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).