1-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;1-[(3-aminoquinolin-4-yl)amino]-2-methylpropan-2-ol;1-(2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;4-chloro-3-nitroquinoline;methane;2-methyl-1-[(3-nitroquinolin-4-yl)amino]propan-2-ol

C76H99ClN16O9 — CID 161050942

IUPAC1-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;1-[(3-aminoquinolin-4-yl)amino]-2-methylpropan-2-ol;1-(2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;4-chloro-3-nitroquinoline;methane;2-methyl-1-[(3-nitroquinolin-4-yl)amino]propan-2-ol
SMILESC.CC(C)(O)CN.CC(C)(O)CNc1c(N)cnc2ccccc12.CC(C)(O)CNc1c([N+](=O)[O-])cnc2ccccc12.CCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O.CCCCc1nc2cnc3ccccc3c2n1CC(C)(C)O.O=[N+]([O-])c1cnc2ccccc2c1Cl
InChIInChI=1S/C18H24N4O.C18H23N3O.C13H15N3O3.C13H17N3O.C9H5ClN2O2.C4H11NO.CH4/c1-4-5-10-14-21-15-16(22(14)11-18(2,3)23)12-8-6-7-9-13(12)20-17(15)19;1-4-5-10-16-20-15-11-19-14-9-7-6-8-13(14)17(15)21(16)12-18(2,3)22;1-13(2,17)8-15-12-9-5-3-4-6-10(9)14-7-11(12)16(18)19;1-13(2,17)8-16-12-9-5-3-4-6-11(9)15-7-10(12)14;10-9-6-3-1-2-4-7(6)11-5-8(9)12(13)14;1-4(2,6)3-5;/h6-9,23H,4-5,10-11H2,1-3H3,(H2,19,20);6-9,11,22H,4-5,10,12H2,1-3H3;3-7,17H,8H2,1-2H3,(H,14,15);3-7,17H,8,14H2,1-2H3,(H,15,16);1-5H;6H,3,5H2,1-2H3;1H4
InChIKeyUCCZNOFJZKRUDE-UHFFFAOYSA-N
MW1416.18 g/mol
LogP14.45
Rot. Bonds19

About 1-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;1-[(3-aminoquinolin-4-yl)amino]-2-methylpropan-2-ol;1-(2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;4-chloro-3-nitroquinoline;methane;2-methyl-1-[(3-nitroquinolin-4-yl)amino]propan-2-ol

1-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;1-[(3-aminoquinolin-4-yl)amino]-2-methylpropan-2-ol;1-(2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;4-chloro-3-nitroquinoline;methane;2-methyl-1-[(3-nitroquinolin-4-yl)amino]propan-2-ol (PubChem CID 161050942) has the molecular formula C76H99ClN16O9 and a molecular weight of 1416.18 g/mol. Its IUPAC name is 1-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;1-[(3-aminoquinolin-4-yl)amino]-2-methylpropan-2-ol;1-(2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;4-chloro-3-nitroquinoline;methane;2-methyl-1-[(3-nitroquinolin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;1-[(3-aminoquinolin-4-yl)amino]-2-methylpropan-2-ol;1-(2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;4-chloro-3-nitroquinoline;methane;2-methyl-1-[(3-nitroquinolin-4-yl)amino]propan-2-ol
PubChem CID161050942
Molecular FormulaC76H99ClN16O9
Molecular Weight1416.18 g/mol
Exact Mass1414.75
IUPAC Name1-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;1-[(3-aminoquinolin-4-yl)amino]-2-methylpropan-2-ol;1-(2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;4-chloro-3-nitroquinoline;methane;2-methyl-1-[(3-nitroquinolin-4-yl)amino]propan-2-ol
SMILESC.CC(C)(O)CN.CC(C)(O)CNc1c(N)cnc2ccccc12.CC(C)(O)CNc1c([N+](=O)[O-])cnc2ccccc12.CCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O.CCCCc1nc2cnc3ccccc3c2n1CC(C)(C)O.O=[N+]([O-])c1cnc2ccccc2c1Cl
InChIInChI=1S/C18H24N4O.C18H23N3O.C13H15N3O3.C13H17N3O.C9H5ClN2O2.C4H11NO.CH4/c1-4-5-10-14-21-15-16(22(14)11-18(2,3)23)12-8-6-7-9-13(12)20-17(15)19;1-4-5-10-16-20-15-11-19-14-9-7-6-8-13(14)17(15)21(16)12-18(2,3)22;1-13(2,17)8-15-12-9-5-3-4-6-10(9)14-7-11(12)16(18)19;1-13(2,17)8-16-12-9-5-3-4-6-11(9)15-7-10(12)14;10-9-6-3-1-2-4-7(6)11-5-8(9)12(13)14;1-4(2,6)3-5;/h6-9,23H,4-5,10-11H2,1-3H3,(H2,19,20);6-9,11,22H,4-5,10,12H2,1-3H3;3-7,17H,8H2,1-2H3,(H,14,15);3-7,17H,8,14H2,1-2H3,(H,15,16);1-5H;6H,3,5H2,1-2H3;1H4
InChIKeyUCCZNOFJZKRUDE-UHFFFAOYSA-N
XLogP14.45
TPSA389.64 Ų
H-Bond Donors10
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001416.18
LogP ≤ 514.45
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;1-[(3-aminoquinolin-4-yl)amino]-2-methylpropan-2-ol;1-(2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;4-chloro-3-nitroquinoline;methane;2-methyl-1-[(3-nitroquinolin-4-yl)amino]propan-2-ol with MolForge

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Related Compounds

N-(7-chloro-4-quinolyl)-N'-methyl-N'-[2-(2-methyl-4-nitro-imidazol-1-yl)ethyl]propane-1,3-diamine; N-(7-chloro-4-quinolyl)-N'-methyl-N'-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]propane-1,3-diamine
CID 71588219
7-chloro-N-[2-(2-methyl-4-nitro-imidazol-1-yl)ethyl]quinolin-4-amine; 7-chloro-N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]quinolin-4-amine
CID 71588221
7-chloro-N-[3-(2-methyl-4-nitro-imidazol-1-yl)propyl]quinolin-4-amine; 7-chloro-N-[3-(2-methyl-5-nitro-imidazol-1-yl)propyl]quinolin-4-amine
CID 71588224
N-(7-chloro-4-quinolyl)-N'-methyl-N'-[2-(2-methyl-4-nitro-imidazol-1-yl)ethyl]ethane-1,2-diamine; N-(7-chloro-4-quinolyl)-N'-methyl-N'-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]ethane-1,2-diamine
CID 71588238
tert-butyl N-(azetidin-3-yl)carbamate;2-chloro-3-nitropyridine;2-chloroquinoline;methane;methanol;2-[3-(2-methoxyimidazo[4,5-b]pyridin-3-yl)azetidin-1-yl]quinoline;2-(3-methylazetidin-1-yl)quinoline;2-[3-[(3-nitro-2-pyridinyl)methyl]azetidin-1-yl]quinoline;1-quinolin-2-ylazetidin-3-amine;2-[(1-quinolin-2-ylazetidin-3-yl)methyl]pyridin-3-amine;tetramethoxymethane;trihydrochloride
CID 157198413
N-benzyl-N,4-dimethyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine;N-benzyl-N,6-dimethyl-2-(2-methylimidazol-1-yl)-5-nitropyrimidin-4-amine;2-N,4-N-dibenzyl-2-N,4-N,6-trimethyl-5-nitropyrimidine-2,4-diamine;2,4-dichloro-6-methyl-5-nitropyrimidine;methane
CID 157326321
4-chloro-3-methyl-2-phenyl-1,8-naphthyridine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine;4-[3,3-dimethyl-1-(3-methyl-2-phenyl-1,8-naphthyridin-4-yl)-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
CID 157383420
1-benzyl-2-butyl-5-hydroxyimidazo[4,5-c]pyridin-5-ium;1-benzyl-2-butylimidazo[4,5-c]pyridin-4-amine;1-benzyl-2-butylimidazo[4,5-c]pyridine;N-benzyl-3-nitropyridin-4-amine;4-N-benzylpyridine-3,4-diamine;4-chloro-3-nitropyridine
CID 157383557
2-Amino-3-phenylpropan-1-ol;azane;2-benzyl-5-chloro-7-fluoro-2,3-dihydroimidazo[1,2-c]quinazoline;2-benzyl-5-chloro-7-fluoroimidazo[1,2-c]quinazoline;2-benzyl-7-fluoroimidazo[1,2-c]quinazolin-5-amine;2-[(2-chloro-8-fluoroquinazolin-4-yl)amino]-3-phenylpropan-1-ol;2,4-dichloro-8-fluoroquinazoline;dioxomanganese
CID 157390156
8-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrido[3,4-d]pyrimidin-2-amine;4-chloro-N-(4-morpholin-4-ylphenyl)-8-(3-nitrophenyl)pyrido[3,4-d]pyrimidin-2-amine;methane
CID 157610454
8-(3-aminophenyl)-N-(4-morpholin-4-ylphenyl)pyrido[3,4-d]pyrimidin-2-amine;4-chloro-N-(4-morpholin-4-ylphenyl)-8-(3-nitrophenyl)pyrido[3,4-d]pyrimidin-2-amine;methane
CID 157954226
1-benzyl-2-butyl-4-chloroimidazo[4,5-c]pyridine;N-benzyl-2-chloro-3-nitropyridin-4-amine;N-benzyl-2-chloro-5-nitropyridin-4-amine;4-N-benzyl-2-chloropyridine-3,4-diamine;4-N-benzyl-6-chloropyridine-3,4-diamine;2-chloro-3-nitropyridin-4-amine;2-chloro-5-nitropyridin-4-amine;2-chloropyridin-4-amine
CID 157969614

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;1-[(3-aminoquinolin-4-yl)amino]-2-methylpropan-2-ol;1-(2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;4-chloro-3-nitroquinoline;methane;2-methyl-1-[(3-nitroquinolin-4-yl)amino]propan-2-ol?
The IUPAC name of 1-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;1-[(3-aminoquinolin-4-yl)amino]-2-methylpropan-2-ol;1-(2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;4-chloro-3-nitroquinoline;methane;2-methyl-1-[(3-nitroquinolin-4-yl)amino]propan-2-ol (CID 161050942) is 1-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;1-[(3-aminoquinolin-4-yl)amino]-2-methylpropan-2-ol;1-(2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;4-chloro-3-nitroquinoline;methane;2-methyl-1-[(3-nitroquinolin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;1-[(3-aminoquinolin-4-yl)amino]-2-methylpropan-2-ol;1-(2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;4-chloro-3-nitroquinoline;methane;2-methyl-1-[(3-nitroquinolin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;1-[(3-aminoquinolin-4-yl)amino]-2-methylpropan-2-ol;1-(2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;4-chloro-3-nitroquinoline;methane;2-methyl-1-[(3-nitroquinolin-4-yl)amino]propan-2-ol is C.CC(C)(O)CN.CC(C)(O)CNc1c(N)cnc2ccccc12.CC(C)(O)CNc1c([N+](=O)[O-])cnc2ccccc12.CCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O.CCCCc1nc2cnc3ccccc3c2n1CC(C)(C)O.O=[N+]([O-])c1cnc2ccccc2c1Cl.
What is the InChIKey of 1-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;1-[(3-aminoquinolin-4-yl)amino]-2-methylpropan-2-ol;1-(2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;4-chloro-3-nitroquinoline;methane;2-methyl-1-[(3-nitroquinolin-4-yl)amino]propan-2-ol?
The InChIKey is UCCZNOFJZKRUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.C18H23N3O.C13H15N3O3.C13H17N3O.C9H5ClN2O2.C4H11NO.CH4/c1-4-5-10-14-21-15-16(22(14)11-18(2,3)23)12-8-6-7-9-13(12)20-17(15)19;1-4-5-10-16-20-15-11-19-14-9-7-6-8-13(14)17(15)21(16)12-18(2,3)22;1-13(2,17)8-15-12-9-5-3-4-6-10(9)14-7-11(12)16(18)19;1-13(2,17)8-16-12-9-5-3-4-6-11(9)15-7-10(12)14;10-9-6-3-1-2-4-7(6)11-5-8(9)12(13)14;1-4(2,6)3-5;/h6-9,23H,4-5,10-11H2,1-3H3,(H2,19,20);6-9,11,22H,4-5,10,12H2,1-3H3;3-7,17H,8H2,1-2H3,(H,14,15);3-7,17H,8,14H2,1-2H3,(H,15,16);1-5H;6H,3,5H2,1-2H3;1H4.
What are the key properties of 1-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;1-[(3-aminoquinolin-4-yl)amino]-2-methylpropan-2-ol;1-(2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;4-chloro-3-nitroquinoline;methane;2-methyl-1-[(3-nitroquinolin-4-yl)amino]propan-2-ol?
1-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;1-[(3-aminoquinolin-4-yl)amino]-2-methylpropan-2-ol;1-(2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;4-chloro-3-nitroquinoline;methane;2-methyl-1-[(3-nitroquinolin-4-yl)amino]propan-2-ol has a molecular weight of 1416.18 g/mol, XLogP of 14.45, 19 rotatable bonds, 10 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;1-amino-2-methylpropan-2-ol;1-[(3-aminoquinolin-4-yl)amino]-2-methylpropan-2-ol;1-(2-butylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol;4-chloro-3-nitroquinoline;methane;2-methyl-1-[(3-nitroquinolin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 161050942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).