1-[4-amino-6,7,8,9-tetradeuterio-2-(2-deuteriopropan-2-yloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(1,1-dideuterioethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-[dideuterio(ethoxy)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;2-[[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;methane

C88H120N20O10 — CID 157358812

IUPAC1-[4-amino-6,7,8,9-tetradeuterio-2-(2-deuteriopropan-2-yloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(1,1-dideuterioethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-[dideuterio(ethoxy)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;2-[[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;methane
SMILESC.C.[2H]c1c([2H])c([2H])c2c(nc(N)c3nc(C([2H])([2H])OCC)n(CC(C)(C)O)c32)c1[2H].[2H]c1c([2H])c([2H])c2c(nc(N)c3nc(COC([2H])(C)C)n(CC(C)(C)O)c32)c1[2H].[2H]c1c([2H])c([2H])c2c(nc(N)c3nc(COC([2H])([2H])C)n(CC(C)(C)O)c32)c1[2H].[2H]c1c([2H])c([2H])c2c(nc(N)c3nc(COCC)n(CC(C)(C)O)c32)c1[2H].[2H]c1c([2H])c([2H])c2c(nc(N)c3nc(COCC)n(CC(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])c32)c1[2H]
InChIInChI=1S/C18H24N4O2.4C17H22N4O2.2CH4/c1-11(2)24-9-14-21-15-16(22(14)10-18(3,4)23)12-7-5-6-8-13(12)20-17(15)19;4*1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18;;/h5-8,11,23H,9-10H2,1-4H3,(H2,19,20);4*5-8,22H,4,9-10H2,1-3H3,(H2,18,19);2*1H4/i5D,6D,7D,8D,11D;2D3,3D3,5D,6D,7D,8D;5D,6D,7D,8D,9D2;4D2,5D,6D,7D,8D;5D,6D,7D,8D;;
InChIKeyBIJYPJQSNKNMSH-BTSRKAQYSA-N
MW1649.25 g/mol
LogP14.03
Rot. Bonds27

About 1-[4-amino-6,7,8,9-tetradeuterio-2-(2-deuteriopropan-2-yloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(1,1-dideuterioethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-[dideuterio(ethoxy)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;2-[[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;methane

1-[4-amino-6,7,8,9-tetradeuterio-2-(2-deuteriopropan-2-yloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(1,1-dideuterioethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-[dideuterio(ethoxy)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;2-[[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;methane (PubChem CID 157358812) has the molecular formula C88H120N20O10 and a molecular weight of 1649.25 g/mol. Its IUPAC name is 1-[4-amino-6,7,8,9-tetradeuterio-2-(2-deuteriopropan-2-yloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(1,1-dideuterioethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-[dideuterio(ethoxy)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;2-[[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;methane.

Molecular Properties

Compound Name1-[4-amino-6,7,8,9-tetradeuterio-2-(2-deuteriopropan-2-yloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(1,1-dideuterioethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-[dideuterio(ethoxy)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;2-[[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;methane
PubChem CID157358812
Molecular FormulaC88H120N20O10
Molecular Weight1649.25 g/mol
Exact Mass1648.14
IUPAC Name1-[4-amino-6,7,8,9-tetradeuterio-2-(2-deuteriopropan-2-yloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(1,1-dideuterioethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-[dideuterio(ethoxy)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;2-[[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;methane
SMILESC.C.[2H]c1c([2H])c([2H])c2c(nc(N)c3nc(C([2H])([2H])OCC)n(CC(C)(C)O)c32)c1[2H].[2H]c1c([2H])c([2H])c2c(nc(N)c3nc(COC([2H])(C)C)n(CC(C)(C)O)c32)c1[2H].[2H]c1c([2H])c([2H])c2c(nc(N)c3nc(COC([2H])([2H])C)n(CC(C)(C)O)c32)c1[2H].[2H]c1c([2H])c([2H])c2c(nc(N)c3nc(COCC)n(CC(C)(C)O)c32)c1[2H].[2H]c1c([2H])c([2H])c2c(nc(N)c3nc(COCC)n(CC(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])c32)c1[2H]
InChIInChI=1S/C18H24N4O2.4C17H22N4O2.2CH4/c1-11(2)24-9-14-21-15-16(22(14)10-18(3,4)23)12-7-5-6-8-13(12)20-17(15)19;4*1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18;;/h5-8,11,23H,9-10H2,1-4H3,(H2,19,20);4*5-8,22H,4,9-10H2,1-3H3,(H2,18,19);2*1H4/i5D,6D,7D,8D,11D;2D3,3D3,5D,6D,7D,8D;5D,6D,7D,8D,9D2;4D2,5D,6D,7D,8D;5D,6D,7D,8D;;
InChIKeyBIJYPJQSNKNMSH-BTSRKAQYSA-N
XLogP14.03
TPSA430.95 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001649.25
LogP ≤ 514.03
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 1-[4-amino-6,7,8,9-tetradeuterio-2-(2-deuteriopropan-2-yloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(1,1-dideuterioethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-[dideuterio(ethoxy)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;2-[[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;methane with MolForge

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Related Compounds

9H-Pyrimido(4,5-b)indole, 9-(2-(4-morpholinyl)ethyl)-2,4-di-1-pyrrolidinyl-, hydrochloride, hydrate (2:2:1)
CID 129649853
(2R)-N-[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]-3-[[2-[2-[3-[2-[2-[[(2R)-3-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-fluoro-3-oxopropyl]amino]-2-oxoethoxy]ethoxy]-2,2-bis[2-[2-[[(2R)-3-[[2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-fluoro-3-oxopropyl]amino]-2-oxoethoxy]ethoxymethyl]propoxy]ethoxy]acetyl]amino]-2-fluoropropanamide
CID 158319158
1-(2-Ethoxyethyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;1-ethyl-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole;2-[4-(2-methylphenyl)piperazin-1-yl]-1-pentan-3-ylbenzimidazole;bis(2-[4-(2-methylphenyl)piperazin-1-yl]-1-propylbenzimidazole);2-[4-(2-methylphenyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)benzimidazole
CID 159098682
6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-N,N-dimethylimidazo[1,2-a]pyridin-3-amine;N,N-dimethyl-6-[2-(3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine;N,N-dimethyl-6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N,N-dimethylimidazo[1,2-a]pyridin-3-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-methylimidazo[1,2-a]pyridine;4-[6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]quinolin-4-yl]morpholine
CID 159313267
6,6-dimethyl-2-(5-methyl-2-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6-dimethyl-2-(6-methyl-3-pyridinyl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(2,4-dimethyl-1H-pyrrol-3-yl)-6,6-dimethyl-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;(6S)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine;(6R)-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine
CID 159328215
Bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);1-[4-(6-amino-5-methyl-3-pyridinyl)-1-[3-(4-propylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol;6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine;bis(1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol)
CID 159626269
(6S)-6-ethyl-6-methyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;(6R)-6-ethyl-6-methyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-8,9-dihydropurino[8,9-c][1,4]oxazine;2-(6-methyl-3-pyridinyl)-4-morpholin-4-yl-6-(trifluoromethyl)-8,9-dihydro-6H-purino[8,9-c][1,4]oxazine;2-(2-methylpyrimidin-5-yl)-4-morpholin-4-yl-6,6-bis(trideuteriomethyl)-8,9-dihydropurino[8,9-c][1,4]oxazine;6,6,9-trimethyl-2-(2-methylpyrimidin-5-yl)-4-morpholin-4-ylpurino[8,9-c][1,4]oxazine
CID 160340498
Bis(1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol);bis(6-[1-[3-[4-(2-fluoroethyl)piperazin-1-yl]-1-bicyclo[1.1.1]pentanyl]-2-propan-2-ylimidazol-4-yl]-1-(1-pyridin-2-ylethyl)pyrrolo[3,2-b]pyridine);bis(1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol)
CID 162253352
4-[2-[3-Fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[3-methyl-6-(trifluoromethyl)pyrido[4,3-b]indol-5-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrimido[4,5-b]indol-9-yl]ethyl]morpholine;8-(2-morpholin-4-ylethyl)-10-(trifluoromethyl)-8,11-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1,3,6,9,12-pentaene 5-oxide;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine;hydrochloride
CID 163464069
4-[2-[3-Fluoro-2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;methane;4-[2-[2-methyl-8-(trifluoromethyl)pyrido[2,3-b]indol-9-yl]ethyl]morpholine;4-[2-[3-methyl-6-(trifluoromethyl)pyrido[4,3-b]indol-5-yl]ethyl]morpholine;4-[2-[2-methyl-8-(trifluoromethyl)pyrimido[4,5-b]indol-9-yl]ethyl]morpholine;4-[2-[8-(trifluoromethyl)pyrido[3,4-b]indol-9-yl]ethyl]morpholine
CID 163497331
2-[(3-Fluorophenyl)methyl]-7-methylimidazo[1,2-c]quinazolin-5-amine;7-methyl-2-[(2-morpholin-4-ylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;7-methyl-2-[(3-morpholin-4-ylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;7-methyl-2-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine;7-methyl-2-[(3-phenylphenyl)methyl]imidazo[1,2-c]quinazolin-5-amine;7-methyl-2-[[2-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-c]quinazolin-5-amine
CID 167602390
4-(2-Phenylimidazo[1,2-a]pyridin-3-yl)morpholine
CID 139095137

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-6,7,8,9-tetradeuterio-2-(2-deuteriopropan-2-yloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(1,1-dideuterioethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-[dideuterio(ethoxy)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;2-[[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;methane?
The IUPAC name of 1-[4-amino-6,7,8,9-tetradeuterio-2-(2-deuteriopropan-2-yloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(1,1-dideuterioethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-[dideuterio(ethoxy)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;2-[[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;methane (CID 157358812) is 1-[4-amino-6,7,8,9-tetradeuterio-2-(2-deuteriopropan-2-yloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(1,1-dideuterioethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-[dideuterio(ethoxy)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;2-[[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;methane.
What is the SMILES notation for 1-[4-amino-6,7,8,9-tetradeuterio-2-(2-deuteriopropan-2-yloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(1,1-dideuterioethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-[dideuterio(ethoxy)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;2-[[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;methane?
The canonical SMILES for 1-[4-amino-6,7,8,9-tetradeuterio-2-(2-deuteriopropan-2-yloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(1,1-dideuterioethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-[dideuterio(ethoxy)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;2-[[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;methane is C.C.[2H]c1c([2H])c([2H])c2c(nc(N)c3nc(C([2H])([2H])OCC)n(CC(C)(C)O)c32)c1[2H].[2H]c1c([2H])c([2H])c2c(nc(N)c3nc(COC([2H])(C)C)n(CC(C)(C)O)c32)c1[2H].[2H]c1c([2H])c([2H])c2c(nc(N)c3nc(COC([2H])([2H])C)n(CC(C)(C)O)c32)c1[2H].[2H]c1c([2H])c([2H])c2c(nc(N)c3nc(COCC)n(CC(C)(C)O)c32)c1[2H].[2H]c1c([2H])c([2H])c2c(nc(N)c3nc(COCC)n(CC(O)(C([2H])([2H])[2H])C([2H])([2H])[2H])c32)c1[2H].
What is the InChIKey of 1-[4-amino-6,7,8,9-tetradeuterio-2-(2-deuteriopropan-2-yloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(1,1-dideuterioethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-[dideuterio(ethoxy)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;2-[[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;methane?
The InChIKey is BIJYPJQSNKNMSH-BTSRKAQYSA-N. The full InChI is InChI=1S/C18H24N4O2.4C17H22N4O2.2CH4/c1-11(2)24-9-14-21-15-16(22(14)10-18(3,4)23)12-7-5-6-8-13(12)20-17(15)19;4*1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18;;/h5-8,11,23H,9-10H2,1-4H3,(H2,19,20);4*5-8,22H,4,9-10H2,1-3H3,(H2,18,19);2*1H4/i5D,6D,7D,8D,11D;2D3,3D3,5D,6D,7D,8D;5D,6D,7D,8D,9D2;4D2,5D,6D,7D,8D;5D,6D,7D,8D;;.
What are the key properties of 1-[4-amino-6,7,8,9-tetradeuterio-2-(2-deuteriopropan-2-yloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(1,1-dideuterioethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-[dideuterio(ethoxy)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;2-[[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;methane?
1-[4-amino-6,7,8,9-tetradeuterio-2-(2-deuteriopropan-2-yloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(1,1-dideuterioethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-[dideuterio(ethoxy)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;2-[[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;methane has a molecular weight of 1649.25 g/mol, XLogP of 14.03, 27 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-6,7,8,9-tetradeuterio-2-(2-deuteriopropan-2-yloxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(1,1-dideuterioethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-[dideuterio(ethoxy)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;2-[[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]-1,1,1,3,3,3-hexadeuteriopropan-2-ol;1-[4-amino-6,7,8,9-tetradeuterio-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;methane is sourced from PubChem (CID 157358812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).