8-tert-butyl-4-chloroisoquinoline;5-tert-butyl-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;8-tert-butyl-2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-5-fluoroisoquinoline;4-tert-butylisoquinoline;(3R)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;(3S)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;8-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;7-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;5-tert-butyl-2-methyl-1,4-dihydroisoquinolin-3-one

C179H216ClFN16O9 — CID 163667415

IUPAC8-tert-butyl-4-chloroisoquinoline;5-tert-butyl-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;8-tert-butyl-2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-5-fluoroisoquinoline;4-tert-butylisoquinoline;(3R)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;(3S)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;8-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;7-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;5-tert-butyl-2-methyl-1,4-dihydroisoquinolin-3-one
SMILESCC(C)(C)c1ccc(F)c2ccncc12.CC(C)(C)c1cccc2c(Cl)cncc12.CC(C)(C)c1cccc2c1CC(=O)N(C1CCCC1)C2.CC(C)(C)c1cncc2ccccc12.CN1Cc2cccc(C(C)(C)C)c2CC1=O.CNC(=O)[C@@H]1CCN(c2cc3cccc(C(C)(C)C)c3cn2)C1.CNC(=O)[C@H]1CCN(c2cc3cccc(C(C)(C)C)c3cn2)C1.COc1cc(C(C)(C)C)c2cnccc2c1.COc1ccc(-c2nc3c(C(C)(C)C)cccc3o2)cc1.COc1ccc(N2Cc3cccc(C(C)(C)C)c3C2=O)cc1.Cc1ccc(-c2cn3cccc(C(C)(C)C)c3n2)c(C)c1
InChIInChI=1S/2C19H25N3O.C19H22N2.C19H21NO2.C18H19NO2.C18H25NO.C14H17NO.C14H19NO.C13H14ClN.C13H14FN.C13H15N/c2*1-19(2,3)16-7-5-6-13-10-17(21-11-15(13)16)22-9-8-14(12-22)18(23)20-4;1-13-8-9-15(14(2)11-13)17-12-21-10-6-7-16(18(21)20-17)19(3,4)5;1-19(2,3)16-7-5-6-13-12-20(18(21)17(13)16)14-8-10-15(22-4)11-9-14;1-18(2,3)14-6-5-7-15-16(14)19-17(21-15)12-8-10-13(20-4)11-9-12;1-18(2,3)16-10-6-7-13-12-19(14-8-4-5-9-14)17(20)11-15(13)16;1-14(2,3)13-8-11(16-4)7-10-5-6-15-9-12(10)13;1-14(2,3)12-7-5-6-10-9-15(4)13(16)8-11(10)12;1-13(2,3)11-6-4-5-9-10(11)7-15-8-12(9)14;1-13(2,3)11-4-5-12(14)9-6-7-15-8-10(9)11;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12/h2*5-7,10-11,14H,8-9,12H2,1-4H3,(H,20,23);6-12H,1-5H3;5-11H,12H2,1-4H3;5-11H,1-4H3;6-7,10,14H,4-5,8-9,11-12H2,1-3H3;5-9H,1-4H3;5-7H,8-9H2,1-4H3;2*4-8H,1-3H3;4-9H,1-3H3/t2*14-;;;;;;;;;/m10........./s1
InChIKeyIZRIRMZTCGOPHD-MCRRBLLOSA-N
MW2790.25 g/mol
LogP41.32
Rot. Bonds11

About 8-tert-butyl-4-chloroisoquinoline;5-tert-butyl-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;8-tert-butyl-2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-5-fluoroisoquinoline;4-tert-butylisoquinoline;(3R)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;(3S)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;8-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;7-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;5-tert-butyl-2-methyl-1,4-dihydroisoquinolin-3-one

8-tert-butyl-4-chloroisoquinoline;5-tert-butyl-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;8-tert-butyl-2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-5-fluoroisoquinoline;4-tert-butylisoquinoline;(3R)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;(3S)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;8-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;7-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;5-tert-butyl-2-methyl-1,4-dihydroisoquinolin-3-one (PubChem CID 163667415) has the molecular formula C179H216ClFN16O9 and a molecular weight of 2790.25 g/mol. Its IUPAC name is 8-tert-butyl-4-chloroisoquinoline;5-tert-butyl-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;8-tert-butyl-2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-5-fluoroisoquinoline;4-tert-butylisoquinoline;(3R)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;(3S)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;8-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;7-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;5-tert-butyl-2-methyl-1,4-dihydroisoquinolin-3-one.

Molecular Properties

Compound Name8-tert-butyl-4-chloroisoquinoline;5-tert-butyl-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;8-tert-butyl-2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-5-fluoroisoquinoline;4-tert-butylisoquinoline;(3R)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;(3S)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;8-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;7-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;5-tert-butyl-2-methyl-1,4-dihydroisoquinolin-3-one
PubChem CID163667415
Molecular FormulaC179H216ClFN16O9
Molecular Weight2790.25 g/mol
Exact Mass2787.66
IUPAC Name8-tert-butyl-4-chloroisoquinoline;5-tert-butyl-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;8-tert-butyl-2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-5-fluoroisoquinoline;4-tert-butylisoquinoline;(3R)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;(3S)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;8-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;7-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;5-tert-butyl-2-methyl-1,4-dihydroisoquinolin-3-one
SMILESCC(C)(C)c1ccc(F)c2ccncc12.CC(C)(C)c1cccc2c(Cl)cncc12.CC(C)(C)c1cccc2c1CC(=O)N(C1CCCC1)C2.CC(C)(C)c1cncc2ccccc12.CN1Cc2cccc(C(C)(C)C)c2CC1=O.CNC(=O)[C@@H]1CCN(c2cc3cccc(C(C)(C)C)c3cn2)C1.CNC(=O)[C@H]1CCN(c2cc3cccc(C(C)(C)C)c3cn2)C1.COc1cc(C(C)(C)C)c2cnccc2c1.COc1ccc(-c2nc3c(C(C)(C)C)cccc3o2)cc1.COc1ccc(N2Cc3cccc(C(C)(C)C)c3C2=O)cc1.Cc1ccc(-c2cn3cccc(C(C)(C)C)c3n2)c(C)c1
InChIInChI=1S/2C19H25N3O.C19H22N2.C19H21NO2.C18H19NO2.C18H25NO.C14H17NO.C14H19NO.C13H14ClN.C13H14FN.C13H15N/c2*1-19(2,3)16-7-5-6-13-10-17(21-11-15(13)16)22-9-8-14(12-22)18(23)20-4;1-13-8-9-15(14(2)11-13)17-12-21-10-6-7-16(18(21)20-17)19(3,4)5;1-19(2,3)16-7-5-6-13-12-20(18(21)17(13)16)14-8-10-15(22-4)11-9-14;1-18(2,3)14-6-5-7-15-16(14)19-17(21-15)12-8-10-13(20-4)11-9-12;1-18(2,3)16-10-6-7-13-12-19(14-8-4-5-9-14)17(20)11-15(13)16;1-14(2,3)13-8-11(16-4)7-10-5-6-15-9-12(10)13;1-14(2,3)12-7-5-6-10-9-15(4)13(16)8-11(10)12;1-13(2,3)11-6-4-5-9-10(11)7-15-8-12(9)14;1-13(2,3)11-4-5-12(14)9-6-7-15-8-10(9)11;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12/h2*5-7,10-11,14H,8-9,12H2,1-4H3,(H,20,23);6-12H,1-5H3;5-11H,12H2,1-4H3;5-11H,1-4H3;6-7,10,14H,4-5,8-9,11-12H2,1-3H3;5-9H,1-4H3;5-7H,8-9H2,1-4H3;2*4-8H,1-3H3;4-9H,1-3H3/t2*14-;;;;;;;;;/m10........./s1
InChIKeyIZRIRMZTCGOPHD-MCRRBLLOSA-N
XLogP41.32
TPSA273.97 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002790.25
LogP ≤ 541.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 8-tert-butyl-4-chloroisoquinoline;5-tert-butyl-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;8-tert-butyl-2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-5-fluoroisoquinoline;4-tert-butylisoquinoline;(3R)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;(3S)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;8-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;7-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;5-tert-butyl-2-methyl-1,4-dihydroisoquinolin-3-one with MolForge

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Related Compounds

5-[(1S)-1-aminoethyl]-N-[(2,4-difluoro-3-methoxyphenyl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(4-fluoro-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(5-methyl-1,3-dihydroisoindol-2-yl)methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone;5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-N-(pyrimidin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 157067687
[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[4-(pyrazin-2-ylmethyl)piperidin-1-yl]methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[4-(pyrimidin-2-ylamino)piperidin-1-yl]methanone;[5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[4-(pyrimidin-2-ylamino)piperidin-1-yl]methanone;[5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methanone
CID 157863277
8-tert-butyl-2-(2-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridine;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;8-tert-butyl-2-(1H-indol-3-yl)imidazo[1,2-a]pyridine;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 157894266
5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;5-(8-tert-butylisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 159390194
[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[4-(pyrazin-2-ylmethyl)piperidin-1-yl]methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[4-(pyrimidin-2-ylamino)piperidin-1-yl]methanone;[5-[(1S)-1-aminoethyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[4-(pyrimidin-2-ylmethyl)piperidin-1-yl]methanone;[5-(aminomethyl)-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazol-4-yl]-[4-(pyrimidin-2-ylamino)piperidin-1-yl]methanone
CID 161458592
5-tert-butyl-2-cyclohexyl-1,4-dihydroisoquinolin-3-one;3-(8-tert-butylimidazo[1,2-a]pyridin-2-yl)phenol;8-tert-butyl-2-(1H-indol-3-yl)imidazo[1,2-a]pyridine;7-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;5-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine;7-tert-butyl-2-pyridin-3-yl-1,3-benzoxazole;8-tert-butyl-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 163824581
N-[6-[8-amino-1-[4-[(4-chloro-2-pyridinyl)carbamoyl]-2-fluorophenyl]-3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]ethyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-6-yl]-4-chloro-2-pyridinyl]-4-[8-amino-3-[2-[[2-[5-(methylamino)-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindol-5-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluorobenzamide
CID 167206539
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyridine-2-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-imidazo[1,2-a]pyrazin-3-yloxypyridine-2-carboxamide;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;1-(4-imidazo[1,2-a]pyrazin-3-yloxyphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethanethioate
CID 167550118
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyridine-2-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-imidazo[1,2-a]pyrazin-3-yloxypyridine-2-carboxamide;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;1-(4-imidazo[1,2-a]pyrazin-3-yloxyphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;1-(4-imidazo[1,2-a]pyrazin-3-yloxyphenyl)-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-sulfanylideneethanethioate
CID 167568095
N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-(imidazo[1,2-a]pyrazin-3-ylmethyl)pyridine-2-carboxamide;N-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-5-imidazo[1,2-a]pyrazin-3-yloxypyridine-2-carboxamide;1-[4-(imidazo[1,2-a]pyrazin-3-ylamino)phenyl]-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;1-(4-imidazo[1,2-a]pyrazin-3-yloxyphenyl)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethanone;1-(4-imidazo[1,2-a]pyrazin-3-yloxyphenyl)-2-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]ethanone;(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoacetate
CID 167672154
3-[6-[4-[[3-[6-[5-chloro-1-methyl-4-(pyrrolidin-1-ylmethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-(2,6-dioxopiperidin-3-yl)-7-fluoro-3-oxo-1H-isoindol-4-yl]pyrrolidin-1-yl]methyl]-8-(2-methoxyethoxy)-1,5-naphthyridin-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169206351
3,21-dimethyl-14-aza-21-azoniapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;1,12-dimethylimidazo[1,2-f]phenanthridin-1-ium;ethane;1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;1-methyl-3-(2-methylphenyl)-2H-imidazole;2-methyl-1-(2-methylphenyl)isoquinolin-2-ium;2-methyl-3-(2-methylphenyl)isoquinolin-2-ium;1-methyl-2-(2-methylphenyl)-3-phenylbenzimidazol-1-ium;1-methyl-2-(2-methylphenyl)-3-phenylimidazol-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine;7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-c]pyridine;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 157077840

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-4-chloroisoquinoline;5-tert-butyl-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;8-tert-butyl-2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-5-fluoroisoquinoline;4-tert-butylisoquinoline;(3R)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;(3S)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;8-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;7-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;5-tert-butyl-2-methyl-1,4-dihydroisoquinolin-3-one?
The IUPAC name of 8-tert-butyl-4-chloroisoquinoline;5-tert-butyl-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;8-tert-butyl-2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-5-fluoroisoquinoline;4-tert-butylisoquinoline;(3R)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;(3S)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;8-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;7-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;5-tert-butyl-2-methyl-1,4-dihydroisoquinolin-3-one (CID 163667415) is 8-tert-butyl-4-chloroisoquinoline;5-tert-butyl-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;8-tert-butyl-2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-5-fluoroisoquinoline;4-tert-butylisoquinoline;(3R)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;(3S)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;8-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;7-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;5-tert-butyl-2-methyl-1,4-dihydroisoquinolin-3-one.
What is the SMILES notation for 8-tert-butyl-4-chloroisoquinoline;5-tert-butyl-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;8-tert-butyl-2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-5-fluoroisoquinoline;4-tert-butylisoquinoline;(3R)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;(3S)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;8-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;7-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;5-tert-butyl-2-methyl-1,4-dihydroisoquinolin-3-one?
The canonical SMILES for 8-tert-butyl-4-chloroisoquinoline;5-tert-butyl-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;8-tert-butyl-2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-5-fluoroisoquinoline;4-tert-butylisoquinoline;(3R)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;(3S)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;8-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;7-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;5-tert-butyl-2-methyl-1,4-dihydroisoquinolin-3-one is CC(C)(C)c1ccc(F)c2ccncc12.CC(C)(C)c1cccc2c(Cl)cncc12.CC(C)(C)c1cccc2c1CC(=O)N(C1CCCC1)C2.CC(C)(C)c1cncc2ccccc12.CN1Cc2cccc(C(C)(C)C)c2CC1=O.CNC(=O)[C@@H]1CCN(c2cc3cccc(C(C)(C)C)c3cn2)C1.CNC(=O)[C@H]1CCN(c2cc3cccc(C(C)(C)C)c3cn2)C1.COc1cc(C(C)(C)C)c2cnccc2c1.COc1ccc(-c2nc3c(C(C)(C)C)cccc3o2)cc1.COc1ccc(N2Cc3cccc(C(C)(C)C)c3C2=O)cc1.Cc1ccc(-c2cn3cccc(C(C)(C)C)c3n2)c(C)c1.
What is the InChIKey of 8-tert-butyl-4-chloroisoquinoline;5-tert-butyl-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;8-tert-butyl-2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-5-fluoroisoquinoline;4-tert-butylisoquinoline;(3R)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;(3S)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;8-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;7-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;5-tert-butyl-2-methyl-1,4-dihydroisoquinolin-3-one?
The InChIKey is IZRIRMZTCGOPHD-MCRRBLLOSA-N. The full InChI is InChI=1S/2C19H25N3O.C19H22N2.C19H21NO2.C18H19NO2.C18H25NO.C14H17NO.C14H19NO.C13H14ClN.C13H14FN.C13H15N/c2*1-19(2,3)16-7-5-6-13-10-17(21-11-15(13)16)22-9-8-14(12-22)18(23)20-4;1-13-8-9-15(14(2)11-13)17-12-21-10-6-7-16(18(21)20-17)19(3,4)5;1-19(2,3)16-7-5-6-13-12-20(18(21)17(13)16)14-8-10-15(22-4)11-9-14;1-18(2,3)14-6-5-7-15-16(14)19-17(21-15)12-8-10-13(20-4)11-9-12;1-18(2,3)16-10-6-7-13-12-19(14-8-4-5-9-14)17(20)11-15(13)16;1-14(2,3)13-8-11(16-4)7-10-5-6-15-9-12(10)13;1-14(2,3)12-7-5-6-10-9-15(4)13(16)8-11(10)12;1-13(2,3)11-6-4-5-9-10(11)7-15-8-12(9)14;1-13(2,3)11-4-5-12(14)9-6-7-15-8-10(9)11;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12/h2*5-7,10-11,14H,8-9,12H2,1-4H3,(H,20,23);6-12H,1-5H3;5-11H,12H2,1-4H3;5-11H,1-4H3;6-7,10,14H,4-5,8-9,11-12H2,1-3H3;5-9H,1-4H3;5-7H,8-9H2,1-4H3;2*4-8H,1-3H3;4-9H,1-3H3/t2*14-;;;;;;;;;/m10........./s1.
What are the key properties of 8-tert-butyl-4-chloroisoquinoline;5-tert-butyl-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;8-tert-butyl-2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-5-fluoroisoquinoline;4-tert-butylisoquinoline;(3R)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;(3S)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;8-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;7-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;5-tert-butyl-2-methyl-1,4-dihydroisoquinolin-3-one?
8-tert-butyl-4-chloroisoquinoline;5-tert-butyl-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;8-tert-butyl-2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-5-fluoroisoquinoline;4-tert-butylisoquinoline;(3R)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;(3S)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;8-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;7-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;5-tert-butyl-2-methyl-1,4-dihydroisoquinolin-3-one has a molecular weight of 2790.25 g/mol, XLogP of 41.32, 11 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-4-chloroisoquinoline;5-tert-butyl-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;8-tert-butyl-2-(2,4-dimethylphenyl)imidazo[1,2-a]pyridine;8-tert-butyl-5-fluoroisoquinoline;4-tert-butylisoquinoline;(3R)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;(3S)-1-(8-tert-butylisoquinolin-3-yl)-N-methylpyrrolidine-3-carboxamide;8-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-2-(4-methoxyphenyl)-1,3-benzoxazole;7-tert-butyl-2-(4-methoxyphenyl)-3H-isoindol-1-one;5-tert-butyl-2-methyl-1,4-dihydroisoquinolin-3-one is sourced from PubChem (CID 163667415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).