2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide

C130H157F2N21O20 — CID 161253927

IUPAC2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide
SMILESCC(=O)Nc1cncc(OCC(=O)CCC(O)CN2CCc3ccccc3C2)c1.CC(=O)Nc1ncccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.CN(C)c1cncc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.Cc1cn(C)c2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12.Nc1ncccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.O=C(COc1cccc2cccnc12)NCC(O)CN1Cc2ccccc2C(F)(F)C1
InChIInChI=1S/C24H29N3O3.C23H23F2N3O3.C22H27N3O4.C21H26N4O4.C21H28N4O3.C19H24N4O3/c1-17-13-26(2)21-8-5-9-22(24(17)21)30-16-23(29)25-12-20(28)15-27-11-10-18-6-3-4-7-19(18)14-27;24-23(25)15-28(12-17-5-1-2-8-19(17)23)13-18(29)11-27-21(30)14-31-20-9-3-6-16-7-4-10-26-22(16)20;1-16(26)24-19-10-22(12-23-11-19)29-15-21(28)7-6-20(27)14-25-9-8-17-4-2-3-5-18(17)13-25;1-15(26)24-21-19(7-4-9-22-21)29-14-20(28)23-11-18(27)13-25-10-8-16-5-2-3-6-17(16)12-25;1-24(2)18-9-20(12-22-10-18)28-15-21(27)23-11-19(26)14-25-8-7-16-5-3-4-6-17(16)13-25;20-19-17(6-3-8-21-19)26-13-18(25)22-10-16(24)12-23-9-7-14-4-1-2-5-15(14)11-23/h3-9,13,20,28H,10-12,14-16H2,1-2H3,(H,25,29);1-10,18,29H,11-15H2,(H,27,30);2-5,10-12,20,27H,6-9,13-15H2,1H3,(H,24,26);2-7,9,18,27H,8,10-14H2,1H3,(H,23,28)(H,22,24,26);3-6,9-10,12,19,26H,7-8,11,13-15H2,1-2H3,(H,23,27);1-6,8,16,24H,7,9-13H2,(H2,20,21)(H,22,25)
InChIKeyVBQJHAIMKAXLJB-UHFFFAOYSA-N
MW2371.81 g/mol
LogP9.88
Rot. Bonds46

About 2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide

2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide (PubChem CID 161253927) has the molecular formula C130H157F2N21O20 and a molecular weight of 2371.81 g/mol. Its IUPAC name is 2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide.

Molecular Properties

Compound Name2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide
PubChem CID161253927
Molecular FormulaC130H157F2N21O20
Molecular Weight2371.81 g/mol
Exact Mass2370.19
IUPAC Name2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide
SMILESCC(=O)Nc1cncc(OCC(=O)CCC(O)CN2CCc3ccccc3C2)c1.CC(=O)Nc1ncccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.CN(C)c1cncc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.Cc1cn(C)c2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12.Nc1ncccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.O=C(COc1cccc2cccnc12)NCC(O)CN1Cc2ccccc2C(F)(F)C1
InChIInChI=1S/C24H29N3O3.C23H23F2N3O3.C22H27N3O4.C21H26N4O4.C21H28N4O3.C19H24N4O3/c1-17-13-26(2)21-8-5-9-22(24(17)21)30-16-23(29)25-12-20(28)15-27-11-10-18-6-3-4-7-19(18)14-27;24-23(25)15-28(12-17-5-1-2-8-19(17)23)13-18(29)11-27-21(30)14-31-20-9-3-6-16-7-4-10-26-22(16)20;1-16(26)24-19-10-22(12-23-11-19)29-15-21(28)7-6-20(27)14-25-9-8-17-4-2-3-5-18(17)13-25;1-15(26)24-21-19(7-4-9-22-21)29-14-20(28)23-11-18(27)13-25-10-8-16-5-2-3-6-17(16)12-25;1-24(2)18-9-20(12-22-10-18)28-15-21(27)23-11-19(26)14-25-8-7-16-5-3-4-6-17(16)13-25;20-19-17(6-3-8-21-19)26-13-18(25)22-10-16(24)12-23-9-7-14-4-1-2-5-15(14)11-23/h3-9,13,20,28H,10-12,14-16H2,1-2H3,(H,25,29);1-10,18,29H,11-15H2,(H,27,30);2-5,10-12,20,27H,6-9,13-15H2,1H3,(H,24,26);2-7,9,18,27H,8,10-14H2,1H3,(H,23,28)(H,22,24,26);3-6,9-10,12,19,26H,7-8,11,13-15H2,1-2H3,(H,23,27);1-6,8,16,24H,7,9-13H2,(H2,20,21)(H,22,25)
InChIKeyVBQJHAIMKAXLJB-UHFFFAOYSA-N
XLogP9.88
TPSA515.61 Ų
H-Bond Donors14
H-Bond Acceptors34
Rotatable Bonds46
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002371.81
LogP ≤ 59.88
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1034

Analyze 2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide with MolForge

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Related Compounds

CID 158291810
CID 158291810
2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroquinolin-5-yloxy)acetamide
CID 159525440
CID 159909006
CID 159909006
tert-butyl N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]phenyl]carbamate;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]methanesulfonamide;N-[3-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-2-pyridinyl]methanesulfonamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1H-imidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[2-(1-methylimidazol-2-yl)phenoxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[3-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 161455657
2-[4-[[4-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]piperazin-1-yl]methyl]phenoxy]-1-[4-[[3-[2-(4-isoquinolin-8-ylphenyl)ethoxy]-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenyl]methyl]piperazin-1-yl]ethanone
CID 167222080
2-[2-[2-[2-[2-[2-[4-[[4-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-3-yl)-3-[2-(4-isoquinolin-8-ylphenyl)ethoxy]phenyl]methyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]acetamide
CID 167222081
N-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]methyl]-2-[2-[2-[2-[2-[2-[4-[[3-[2-(4-isoquinolin-8-ylphenyl)ethoxy]-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenyl]methyl]piperazin-1-yl]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 171399913
6-(5-hydroxypentyl)-7-(1H-indol-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-4-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-7-(isoquinolin-5-yloxymethyl)-3-methyl-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-7-[(2-methylphenoxy)methyl]-1-(2-methylpropyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(naphthalen-1-yloxymethyl)pteridine-2,4-dione;6-(5-hydroxypentyl)-3-methyl-1-(2-methylpropyl)-7-(quinolin-5-yloxymethyl)pteridine-2,4-dione
CID 158004073
1-[2-(4-acetylpiperazin-1-yl)phenoxy]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5R)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[7-(morpholin-4-ylmethyl)quinolin-8-yl]oxyhexan-2-one;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[3-(oxan-4-ylamino)phenoxy]hexan-2-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinoxalin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)acetamide
CID 158565197
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
1-[2-(4-acetylpiperazin-1-yl)phenoxy]-6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxyhexan-2-one;(5S)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;(5R)-6-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[2-[2-(dimethylamino)ethoxy]phenoxy]-5-hydroxyhexan-2-one;6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-1-[3-(oxan-4-ylamino)phenoxy]hexan-2-one;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-quinoxalin-5-yloxyacetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,2,3,4-tetrahydroisoquinolin-5-yloxy)acetamide
CID 158828154
ethane;ethyl methyl carbonate;ethyl 2-oxopropanoate;methanamine;2-methyl-5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one;2-methyl-8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one;bis(4-quinolin-5-yloxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one);bis(5-quinolin-5-yloxy-4H-1,8-naphthyridin-3-one);4-quinolin-5-yloxypyridine-2,3-diamine;bis(8-quinolin-5-yloxy-4H-pyrido[2,3-b]pyrazin-3-one)
CID 158951721

Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide?
The IUPAC name of 2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide (CID 161253927) is 2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide.
What is the SMILES notation for 2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide?
The canonical SMILES for 2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide is CC(=O)Nc1cncc(OCC(=O)CCC(O)CN2CCc3ccccc3C2)c1.CC(=O)Nc1ncccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.CN(C)c1cncc(OCC(=O)NCC(O)CN2CCc3ccccc3C2)c1.Cc1cn(C)c2cccc(OCC(=O)NCC(O)CN3CCc4ccccc4C3)c12.Nc1ncccc1OCC(=O)NCC(O)CN1CCc2ccccc2C1.O=C(COc1cccc2cccnc12)NCC(O)CN1Cc2ccccc2C(F)(F)C1.
What is the InChIKey of 2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide?
The InChIKey is VBQJHAIMKAXLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3.C23H23F2N3O3.C22H27N3O4.C21H26N4O4.C21H28N4O3.C19H24N4O3/c1-17-13-26(2)21-8-5-9-22(24(17)21)30-16-23(29)25-12-20(28)15-27-11-10-18-6-3-4-7-19(18)14-27;24-23(25)15-28(12-17-5-1-2-8-19(17)23)13-18(29)11-27-21(30)14-31-20-9-3-6-16-7-4-10-26-22(16)20;1-16(26)24-19-10-22(12-23-11-19)29-15-21(28)7-6-20(27)14-25-9-8-17-4-2-3-5-18(17)13-25;1-15(26)24-21-19(7-4-9-22-21)29-14-20(28)23-11-18(27)13-25-10-8-16-5-2-3-6-17(16)12-25;1-24(2)18-9-20(12-22-10-18)28-15-21(27)23-11-19(26)14-25-8-7-16-5-3-4-6-17(16)13-25;20-19-17(6-3-8-21-19)26-13-18(25)22-10-16(24)12-23-9-7-14-4-1-2-5-15(14)11-23/h3-9,13,20,28H,10-12,14-16H2,1-2H3,(H,25,29);1-10,18,29H,11-15H2,(H,27,30);2-5,10-12,20,27H,6-9,13-15H2,1H3,(H,24,26);2-7,9,18,27H,8,10-14H2,1H3,(H,23,28)(H,22,24,26);3-6,9-10,12,19,26H,7-8,11,13-15H2,1-2H3,(H,23,27);1-6,8,16,24H,7,9-13H2,(H2,20,21)(H,22,25).
What are the key properties of 2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide?
2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide has a molecular weight of 2371.81 g/mol, XLogP of 9.88, 46 rotatable bonds, 14 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamido-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;2-[(2-amino-3-pyridinyl)oxy]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide;N-[3-(4,4-difluoro-1,3-dihydroisoquinolin-2-yl)-2-hydroxypropyl]-2-quinolin-8-yloxyacetamide;N-[5-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-hydroxy-2-oxohexoxy]-3-pyridinyl]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-[[5-(dimethylamino)-3-pyridinyl]oxy]acetamide;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-2-(1,3-dimethylindol-4-yl)oxyacetamide is sourced from PubChem (CID 161253927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).