7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;2-butyl-9-(3-methylbutoxy)pyrazolo[3,4-c]quinolin-4-amine;9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine

C104H133N25O10 — CID 158530630

IUPAC7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;2-butyl-9-(3-methylbutoxy)pyrazolo[3,4-c]quinolin-4-amine;9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine
SMILESCC(C)CCOc1cccc2nc(N)c3nn(CCC(C)C)cc3c12.CC(C)CCn1cc2c(n1)c(N)nc1cccc(O)c12.CCCCn1cc2c(n1)c(N)nc1cccc(OCCC(C)C)c12.CCOCc1nc2c(N)nc3cccc(OCCCCCC(C)=O)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OCCCNC(C)=O)c3c2n1C.Nc1nc2cccc(O)c2c2c1=NCN=2
InChIInChI=1S/C21H28N4O3.C20H28N4O.C19H25N5O3.C19H26N4O.C15H18N4O.C10H8N4O/c1-4-27-13-17-24-19-20(25(17)3)18-15(23-21(19)22)10-8-11-16(18)28-12-7-5-6-9-14(2)26;1-13(2)8-10-24-12-15-18-16(22-20(21)19(15)23-24)6-5-7-17(18)25-11-9-14(3)4;1-4-26-11-15-23-17-18(24(15)3)16-13(22-19(17)20)7-5-8-14(16)27-10-6-9-21-12(2)25;1-4-5-10-23-12-14-17-15(21-19(20)18(14)22-23)7-6-8-16(17)24-11-9-13(2)3;1-9(2)6-7-19-8-10-13-11(4-3-5-12(13)20)17-15(16)14(10)18-19;11-10-9-8(12-4-13-9)7-5(14-10)2-1-3-6(7)15/h8,10-11H,4-7,9,12-13H2,1-3H3,(H2,22,23);5-7,12-14H,8-11H2,1-4H3,(H2,21,22);5,7-8H,4,6,9-11H2,1-3H3,(H2,20,22)(H,21,25);6-8,12-13H,4-5,9-11H2,1-3H3,(H2,20,21);3-5,8-9,20H,6-7H2,1-2H3,(H2,16,17);1-3,15H,4H2,(H2,11,14)
InChIKeyHNHXKFZECWCGAQ-UHFFFAOYSA-N
MW1893.37 g/mol
LogP17.59
Rot. Bonds35

About 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;2-butyl-9-(3-methylbutoxy)pyrazolo[3,4-c]quinolin-4-amine;9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine

7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;2-butyl-9-(3-methylbutoxy)pyrazolo[3,4-c]quinolin-4-amine;9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine (PubChem CID 158530630) has the molecular formula C104H133N25O10 and a molecular weight of 1893.37 g/mol. Its IUPAC name is 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;2-butyl-9-(3-methylbutoxy)pyrazolo[3,4-c]quinolin-4-amine;9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine.

Molecular Properties

Compound Name7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;2-butyl-9-(3-methylbutoxy)pyrazolo[3,4-c]quinolin-4-amine;9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine
PubChem CID158530630
Molecular FormulaC104H133N25O10
Molecular Weight1893.37 g/mol
Exact Mass1892.07
IUPAC Name7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;2-butyl-9-(3-methylbutoxy)pyrazolo[3,4-c]quinolin-4-amine;9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine
SMILESCC(C)CCOc1cccc2nc(N)c3nn(CCC(C)C)cc3c12.CC(C)CCn1cc2c(n1)c(N)nc1cccc(O)c12.CCCCn1cc2c(n1)c(N)nc1cccc(OCCC(C)C)c12.CCOCc1nc2c(N)nc3cccc(OCCCCCC(C)=O)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OCCCNC(C)=O)c3c2n1C.Nc1nc2cccc(O)c2c2c1=NCN=2
InChIInChI=1S/C21H28N4O3.C20H28N4O.C19H25N5O3.C19H26N4O.C15H18N4O.C10H8N4O/c1-4-27-13-17-24-19-20(25(17)3)18-15(23-21(19)22)10-8-11-16(18)28-12-7-5-6-9-14(2)26;1-13(2)8-10-24-12-15-18-16(22-20(21)19(15)23-24)6-5-7-17(18)25-11-9-14(3)4;1-4-26-11-15-23-17-18(24(15)3)16-13(22-19(17)20)7-5-8-14(16)27-10-6-9-21-12(2)25;1-4-5-10-23-12-14-17-15(21-19(20)18(14)22-23)7-6-8-16(17)24-11-9-13(2)3;1-9(2)6-7-19-8-10-13-11(4-3-5-12(13)20)17-15(16)14(10)18-19;11-10-9-8(12-4-13-9)7-5(14-10)2-1-3-6(7)15/h8,10-11H,4-7,9,12-13H2,1-3H3,(H2,22,23);5-7,12-14H,8-11H2,1-4H3,(H2,21,22);5,7-8H,4,6,9-11H2,1-3H3,(H2,20,22)(H,21,25);6-8,12-13H,4-5,9-11H2,1-3H3,(H2,20,21);3-5,8-9,20H,6-7H2,1-2H3,(H2,16,17);1-3,15H,4H2,(H2,11,14)
InChIKeyHNHXKFZECWCGAQ-UHFFFAOYSA-N
XLogP17.59
TPSA489.29 Ų
H-Bond Donors9
H-Bond Acceptors34
Rotatable Bonds35
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001893.37
LogP ≤ 517.59
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;2-butyl-9-(3-methylbutoxy)pyrazolo[3,4-c]quinolin-4-amine;9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-[bis(2,3-dimethylimidazol-4-yl)-hydroxymethyl]-4-chloro-2-methoxyquinolin-3-yl]methyl]butanamide;[4-chloro-3-[(3,3-difluorobutylamino)methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-3-[[2-(2,2-difluoropropoxy)ethylamino]methyl]-2-methoxyquinolin-6-yl]-bis(2,3-dimethylimidazol-4-yl)methanol;[4-chloro-2-methoxy-3-[(2-methyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)methyl]quinolin-6-yl]-(3-methylimidazol-4-yl)-[2-(trifluoromethyl)-4-pyridinyl]methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)methanol;[4-chloro-2-methoxy-3-[(4-methylpiperidin-1-yl)methyl]quinolin-6-yl]-(4-isocyanophenyl)-(3-methylimidazol-4-yl)methanol
CID 157354430
CID 157523316
CID 157523316
2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(1-benzylpyrazol-4-yl)-6-fluoroquinoline-4-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-hydroxy-3-(4-methylphenyl)propyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-hydroxy-3-(5-methyl-2-pyridinyl)propyl]-2-methoxypyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxy-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)-2-propoxypyridine-3-carboxamide;2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-4-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 157608478
3-cyclopropyl-1-[7-(difluoromethyl)-6-(1-methylpyrrol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-[3-cyclopropyl-1-[7-(1-methylpyrrol-3-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;2-fluoro-1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;methyl 1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 158056799
2-[[7-[6-(2,2-difluoropropoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158066669
2-[2-(difluoromethoxy)phenyl]-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;7-[[4-(1,4-dimethylpyrazol-3-yl)phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]purin-8-one
CID 158234807
2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 158469132
(1S,5R)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(3-methylpyrazin-2-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 158599699
2-[[7-[6-(2,2-difluoropropoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158842506
(1R,5S)-N-[2-methyl-4-(3-methylpyrazin-2-yl)butan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-4-(3-methyl-2-pyridinyl)butan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[[3-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 159317384
8-[8-[3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-2-oxopropyl]quinolin-5-yl]oxy-2-methyl-4H-pyrido[2,3-b]pyrazin-3-one;4-[8-[3-(3-tert-butyl-1-methylpyrazol-5-yl)-2-oxopropyl]quinolin-5-yl]oxy-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one;4-[8-[3-(3-tert-butylphenyl)-2-oxopropyl]quinolin-5-yl]oxy-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one;4-[8-[3-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-oxopropyl]quinolin-5-yl]oxy-1-methyl-3H-pyrrolo[2,3-b]pyridin-2-one;8-[8-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]quinolin-5-yl]oxy-2-methyl-4H-pyrido[2,3-b]pyrazin-3-one
CID 159597780
6-[(2,2-difluoro-7-oxa-5-azaspiro[3.4]oct-5-en-6-yl)methyl]-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;6-(3,8-dioxa-1-azaspiro[4.5]dec-1-en-2-ylmethyl)-N-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)phenyl]quinazolin-4-amine;1-ethyl-3-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]urea;1-ethyl-3-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]urea;(E)-N-[3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]phenyl]-3-pyridin-3-ylprop-2-enamide;N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]prop-2-enamide;N-[5-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]-3-pyridinyl]prop-2-enamide
CID 159896097

Frequently Asked Questions

What is the IUPAC name of 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;2-butyl-9-(3-methylbutoxy)pyrazolo[3,4-c]quinolin-4-amine;9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine?
The IUPAC name of 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;2-butyl-9-(3-methylbutoxy)pyrazolo[3,4-c]quinolin-4-amine;9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine (CID 158530630) is 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;2-butyl-9-(3-methylbutoxy)pyrazolo[3,4-c]quinolin-4-amine;9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine.
What is the SMILES notation for 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;2-butyl-9-(3-methylbutoxy)pyrazolo[3,4-c]quinolin-4-amine;9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine?
The canonical SMILES for 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;2-butyl-9-(3-methylbutoxy)pyrazolo[3,4-c]quinolin-4-amine;9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine is CC(C)CCOc1cccc2nc(N)c3nn(CCC(C)C)cc3c12.CC(C)CCn1cc2c(n1)c(N)nc1cccc(O)c12.CCCCn1cc2c(n1)c(N)nc1cccc(OCCC(C)C)c12.CCOCc1nc2c(N)nc3cccc(OCCCCCC(C)=O)c3c2n1C.CCOCc1nc2c(N)nc3cccc(OCCCNC(C)=O)c3c2n1C.Nc1nc2cccc(O)c2c2c1=NCN=2.
What is the InChIKey of 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;2-butyl-9-(3-methylbutoxy)pyrazolo[3,4-c]quinolin-4-amine;9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine?
The InChIKey is HNHXKFZECWCGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3.C20H28N4O.C19H25N5O3.C19H26N4O.C15H18N4O.C10H8N4O/c1-4-27-13-17-24-19-20(25(17)3)18-15(23-21(19)22)10-8-11-16(18)28-12-7-5-6-9-14(2)26;1-13(2)8-10-24-12-15-18-16(22-20(21)19(15)23-24)6-5-7-17(18)25-11-9-14(3)4;1-4-26-11-15-23-17-18(24(15)3)16-13(22-19(17)20)7-5-8-14(16)27-10-6-9-21-12(2)25;1-4-5-10-23-12-14-17-15(21-19(20)18(14)22-23)7-6-8-16(17)24-11-9-13(2)3;1-9(2)6-7-19-8-10-13-11(4-3-5-12(13)20)17-15(16)14(10)18-19;11-10-9-8(12-4-13-9)7-5(14-10)2-1-3-6(7)15/h8,10-11H,4-7,9,12-13H2,1-3H3,(H2,22,23);5-7,12-14H,8-11H2,1-4H3,(H2,21,22);5,7-8H,4,6,9-11H2,1-3H3,(H2,20,22)(H,21,25);6-8,12-13H,4-5,9-11H2,1-3H3,(H2,20,21);3-5,8-9,20H,6-7H2,1-2H3,(H2,16,17);1-3,15H,4H2,(H2,11,14).
What are the key properties of 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;2-butyl-9-(3-methylbutoxy)pyrazolo[3,4-c]quinolin-4-amine;9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine?
7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;2-butyl-9-(3-methylbutoxy)pyrazolo[3,4-c]quinolin-4-amine;9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine has a molecular weight of 1893.37 g/mol, XLogP of 17.59, 35 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide;4-amino-2H-imidazo[4,5-c]quinolin-9-ol;4-amino-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-9-ol;2-butyl-9-(3-methylbutoxy)pyrazolo[3,4-c]quinolin-4-amine;9-(3-methylbutoxy)-2-(3-methylbutyl)pyrazolo[3,4-c]quinolin-4-amine is sourced from PubChem (CID 158530630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).