tris(dichloromethane);methane;methyl 4-[4-amino-7-bromo-2-[2-(methylamino)ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[4-amino-7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[(3-amino-7-bromoquinolin-4-yl)amino]butanoate;methyl 4-[7-bromo-5-hydroxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-5-ium-1-yl]butanoate;methyl 4-[7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[[7-bromo-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxobutyl]quinolin-4-yl]amino]butanoate;3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

C139H190Br6Cl6N25O26+ — CID 158202305

IUPACtris(dichloromethane);methane;methyl 4-[4-amino-7-bromo-2-[2-(methylamino)ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[4-amino-7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[(3-amino-7-bromoquinolin-4-yl)amino]butanoate;methyl 4-[7-bromo-5-hydroxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-5-ium-1-yl]butanoate;methyl 4-[7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[[7-bromo-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxobutyl]quinolin-4-yl]amino]butanoate;3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
SMILESC.C.CN(CCC(=O)O)C(=O)OC(C)(C)C.CNCCc1nc2c(N)nc3cc(Br)ccc3c2n1CCCC(=O)OC.COC(=O)CCCNc1c(CC(=O)CCN(C)C(=O)OC(C)(C)C)cnc2cc(Br)ccc12.COC(=O)CCCNc1c(N)cnc2cc(Br)ccc12.COC(=O)CCCn1c(CCN(C)C(=O)OC(C)(C)C)nc2c(N)nc3cc(Br)ccc3c21.COC(=O)CCCn1c(CCN(C)C(=O)OC(C)(C)C)nc2c[n+](O)c3cc(Br)ccc3c21.COC(=O)CCCn1c(CCN(C)C(=O)OC(C)(C)C)nc2cnc3cc(Br)ccc3c21.ClCCl.ClCCl.ClCCl
InChIInChI=1S/C24H32BrN3O5.C23H30BrN5O4.C23H30BrN4O5.C23H29BrN4O4.C18H22BrN5O2.C14H16BrN3O2.C9H17NO4.3CH2Cl2.2CH4/c1-24(2,3)33-23(31)28(4)12-10-18(29)13-16-15-27-20-14-17(25)8-9-19(20)22(16)26-11-6-7-21(30)32-5;1-23(2,3)33-22(31)28(4)12-10-17-27-19-20(29(17)11-6-7-18(30)32-5)15-9-8-14(24)13-16(15)26-21(19)25;1-23(2,3)33-22(30)26(4)12-10-19-25-17-14-28(31)18-13-15(24)8-9-16(18)21(17)27(19)11-6-7-20(29)32-5;1-23(2,3)32-22(30)27(4)12-10-19-26-18-14-25-17-13-15(24)8-9-16(17)21(18)28(19)11-6-7-20(29)31-5;1-21-8-7-14-23-16-17(24(14)9-3-4-15(25)26-2)12-6-5-11(19)10-13(12)22-18(16)20;1-20-13(19)3-2-6-17-14-10-5-4-9(15)7-12(10)18-8-11(14)16;1-9(2,3)14-8(13)10(4)6-5-7(11)12;3*2-1-3;;/h8-9,14-15H,6-7,10-13H2,1-5H3,(H,26,27);8-9,13H,6-7,10-12H2,1-5H3,(H2,25,26);8-9,13-14,31H,6-7,10-12H2,1-5H3;8-9,13-14H,6-7,10-12H2,1-5H3;5-6,10,21H,3-4,7-9H2,1-2H3,(H2,20,22);4-5,7-8H,2-3,6,16H2,1H3,(H,17,18);5-6H2,1-4H3,(H,11,12);3*1H2;2*1H4/q;;+1;;;;;;;;;
InChIKeyJHHLWFWWTGQLML-UHFFFAOYSA-N
MW3319.34 g/mol
LogP30.03
Rot. Bonds46

About tris(dichloromethane);methane;methyl 4-[4-amino-7-bromo-2-[2-(methylamino)ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[4-amino-7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[(3-amino-7-bromoquinolin-4-yl)amino]butanoate;methyl 4-[7-bromo-5-hydroxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-5-ium-1-yl]butanoate;methyl 4-[7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[[7-bromo-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxobutyl]quinolin-4-yl]amino]butanoate;3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

tris(dichloromethane);methane;methyl 4-[4-amino-7-bromo-2-[2-(methylamino)ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[4-amino-7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[(3-amino-7-bromoquinolin-4-yl)amino]butanoate;methyl 4-[7-bromo-5-hydroxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-5-ium-1-yl]butanoate;methyl 4-[7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[[7-bromo-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxobutyl]quinolin-4-yl]amino]butanoate;3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid (PubChem CID 158202305) has the molecular formula C139H190Br6Cl6N25O26+ and a molecular weight of 3319.34 g/mol. Its IUPAC name is tris(dichloromethane);methane;methyl 4-[4-amino-7-bromo-2-[2-(methylamino)ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[4-amino-7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[(3-amino-7-bromoquinolin-4-yl)amino]butanoate;methyl 4-[7-bromo-5-hydroxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-5-ium-1-yl]butanoate;methyl 4-[7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[[7-bromo-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxobutyl]quinolin-4-yl]amino]butanoate;3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid.

Molecular Properties

Compound Nametris(dichloromethane);methane;methyl 4-[4-amino-7-bromo-2-[2-(methylamino)ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[4-amino-7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[(3-amino-7-bromoquinolin-4-yl)amino]butanoate;methyl 4-[7-bromo-5-hydroxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-5-ium-1-yl]butanoate;methyl 4-[7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[[7-bromo-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxobutyl]quinolin-4-yl]amino]butanoate;3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
PubChem CID158202305
Molecular FormulaC139H190Br6Cl6N25O26+
Molecular Weight3319.34 g/mol
Exact Mass3308.75
IUPAC Nametris(dichloromethane);methane;methyl 4-[4-amino-7-bromo-2-[2-(methylamino)ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[4-amino-7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[(3-amino-7-bromoquinolin-4-yl)amino]butanoate;methyl 4-[7-bromo-5-hydroxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-5-ium-1-yl]butanoate;methyl 4-[7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[[7-bromo-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxobutyl]quinolin-4-yl]amino]butanoate;3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
SMILESC.C.CN(CCC(=O)O)C(=O)OC(C)(C)C.CNCCc1nc2c(N)nc3cc(Br)ccc3c2n1CCCC(=O)OC.COC(=O)CCCNc1c(CC(=O)CCN(C)C(=O)OC(C)(C)C)cnc2cc(Br)ccc12.COC(=O)CCCNc1c(N)cnc2cc(Br)ccc12.COC(=O)CCCn1c(CCN(C)C(=O)OC(C)(C)C)nc2c(N)nc3cc(Br)ccc3c21.COC(=O)CCCn1c(CCN(C)C(=O)OC(C)(C)C)nc2c[n+](O)c3cc(Br)ccc3c21.COC(=O)CCCn1c(CCN(C)C(=O)OC(C)(C)C)nc2cnc3cc(Br)ccc3c21.ClCCl.ClCCl.ClCCl
InChIInChI=1S/C24H32BrN3O5.C23H30BrN5O4.C23H30BrN4O5.C23H29BrN4O4.C18H22BrN5O2.C14H16BrN3O2.C9H17NO4.3CH2Cl2.2CH4/c1-24(2,3)33-23(31)28(4)12-10-18(29)13-16-15-27-20-14-17(25)8-9-19(20)22(16)26-11-6-7-21(30)32-5;1-23(2,3)33-22(31)28(4)12-10-17-27-19-20(29(17)11-6-7-18(30)32-5)15-9-8-14(24)13-16(15)26-21(19)25;1-23(2,3)33-22(30)26(4)12-10-19-25-17-14-28(31)18-13-15(24)8-9-16(18)21(17)27(19)11-6-7-20(29)32-5;1-23(2,3)32-22(30)27(4)12-10-19-26-18-14-25-17-13-15(24)8-9-16(17)21(18)28(19)11-6-7-20(29)31-5;1-21-8-7-14-23-16-17(24(14)9-3-4-15(25)26-2)12-6-5-11(19)10-13(12)22-18(16)20;1-20-13(19)3-2-6-17-14-10-5-4-9(15)7-12(10)18-8-11(14)16;1-9(2,3)14-8(13)10(4)6-5-7(11)12;3*2-1-3;;/h8-9,14-15H,6-7,10-13H2,1-5H3,(H,26,27);8-9,13H,6-7,10-12H2,1-5H3,(H2,25,26);8-9,13-14,31H,6-7,10-12H2,1-5H3;8-9,13-14H,6-7,10-12H2,1-5H3;5-6,10,21H,3-4,7-9H2,1-2H3,(H2,20,22);4-5,7-8H,2-3,6,16H2,1H3,(H,17,18);5-6H2,1-4H3,(H,11,12);3*1H2;2*1H4/q;;+1;;;;;;;;;
InChIKeyJHHLWFWWTGQLML-UHFFFAOYSA-N
XLogP30.03
TPSA633.86 Ų
H-Bond Donors8
H-Bond Acceptors44
Rotatable Bonds46
Heavy Atoms202
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003319.34
LogP ≤ 530.03
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze tris(dichloromethane);methane;methyl 4-[4-amino-7-bromo-2-[2-(methylamino)ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[4-amino-7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[(3-amino-7-bromoquinolin-4-yl)amino]butanoate;methyl 4-[7-bromo-5-hydroxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-5-ium-1-yl]butanoate;methyl 4-[7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[[7-bromo-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxobutyl]quinolin-4-yl]amino]butanoate;3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

1-(4-aminobutoxy)-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-4-amine;7-bromo-2-butyl-1-hydroxyimidazo[4,5-c]quinoline;tert-butyl N-[4-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(4-amino-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl 6-bromohexanoate;deuterium monohydride;dimethyl(oxo)phosphanium;methane;hydrochloride
CID 157412005
7-bromo-4-chloro-3-nitroquinoline;7-bromo-N-cyclobutyl-3-nitroquinolin-4-amine;7-bromo-4-N-cyclobutylquinoline-3,4-diamine;tert-butyl 6-[7-bromo-4-(cyclobutylamino)quinolin-3-yl]-5-oxohexanoate;tert-butyl N-[2-(7-bromo-1-cyclobutylimidazo[4,5-c]quinolin-2-yl)ethyl]carbamate;tert-butyl N-[2-(7-bromo-1-cyclobutyl-5-oxidoimidazo[4,5-c]quinolin-5-ium-2-yl)ethyl]carbamate;cyclobutanamine;5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 157814539
Tris(dichloromethane);methyl 4-[4-amino-7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[(3-amino-7-bromoquinolin-4-yl)amino]butanoate;methyl 4-[7-bromo-5-hydroxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-5-ium-1-yl]butanoate;methyl 4-[7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[[7-bromo-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxobutyl]quinolin-4-yl]amino]butanoate;3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 158802413
1-(4-aminobutoxy)-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-4-amine;tert-butyl N-[4-(4-amino-7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(4-amino-2-butyl-7-dimethylphosphorylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;tert-butyl N-[4-(7-bromo-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]carbamate;deuterium monohydride;dimethyl(oxo)phosphanium;hydrochloride
CID 159401781
acetonitrile;7-bromo-4-chloro-3-nitroquinoline;7-bromo-N-ethyl-3-nitroquinolin-4-amine;7-bromo-4-N-ethylquinoline-3,4-diamine;tert-butyl N-[3-[7-bromo-4-(ethylamino)quinolin-3-yl]-2-oxopropyl]-N-ethylcarbamate;tert-butyl N-[(7-bromo-1-ethylimidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[(7-bromo-1-ethyl-5-oxidoimidazo[4,5-c]quinolin-5-ium-2-yl)methyl]-N-ethylcarbamate;ethanamine
CID 161105659

Frequently Asked Questions

What is the IUPAC name of tris(dichloromethane);methane;methyl 4-[4-amino-7-bromo-2-[2-(methylamino)ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[4-amino-7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[(3-amino-7-bromoquinolin-4-yl)amino]butanoate;methyl 4-[7-bromo-5-hydroxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-5-ium-1-yl]butanoate;methyl 4-[7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[[7-bromo-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxobutyl]quinolin-4-yl]amino]butanoate;3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The IUPAC name of tris(dichloromethane);methane;methyl 4-[4-amino-7-bromo-2-[2-(methylamino)ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[4-amino-7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[(3-amino-7-bromoquinolin-4-yl)amino]butanoate;methyl 4-[7-bromo-5-hydroxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-5-ium-1-yl]butanoate;methyl 4-[7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[[7-bromo-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxobutyl]quinolin-4-yl]amino]butanoate;3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid (CID 158202305) is tris(dichloromethane);methane;methyl 4-[4-amino-7-bromo-2-[2-(methylamino)ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[4-amino-7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[(3-amino-7-bromoquinolin-4-yl)amino]butanoate;methyl 4-[7-bromo-5-hydroxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-5-ium-1-yl]butanoate;methyl 4-[7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[[7-bromo-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxobutyl]quinolin-4-yl]amino]butanoate;3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid.
What is the SMILES notation for tris(dichloromethane);methane;methyl 4-[4-amino-7-bromo-2-[2-(methylamino)ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[4-amino-7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[(3-amino-7-bromoquinolin-4-yl)amino]butanoate;methyl 4-[7-bromo-5-hydroxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-5-ium-1-yl]butanoate;methyl 4-[7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[[7-bromo-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxobutyl]quinolin-4-yl]amino]butanoate;3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The canonical SMILES for tris(dichloromethane);methane;methyl 4-[4-amino-7-bromo-2-[2-(methylamino)ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[4-amino-7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[(3-amino-7-bromoquinolin-4-yl)amino]butanoate;methyl 4-[7-bromo-5-hydroxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-5-ium-1-yl]butanoate;methyl 4-[7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[[7-bromo-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxobutyl]quinolin-4-yl]amino]butanoate;3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid is C.C.CN(CCC(=O)O)C(=O)OC(C)(C)C.CNCCc1nc2c(N)nc3cc(Br)ccc3c2n1CCCC(=O)OC.COC(=O)CCCNc1c(CC(=O)CCN(C)C(=O)OC(C)(C)C)cnc2cc(Br)ccc12.COC(=O)CCCNc1c(N)cnc2cc(Br)ccc12.COC(=O)CCCn1c(CCN(C)C(=O)OC(C)(C)C)nc2c(N)nc3cc(Br)ccc3c21.COC(=O)CCCn1c(CCN(C)C(=O)OC(C)(C)C)nc2c[n+](O)c3cc(Br)ccc3c21.COC(=O)CCCn1c(CCN(C)C(=O)OC(C)(C)C)nc2cnc3cc(Br)ccc3c21.ClCCl.ClCCl.ClCCl.
What is the InChIKey of tris(dichloromethane);methane;methyl 4-[4-amino-7-bromo-2-[2-(methylamino)ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[4-amino-7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[(3-amino-7-bromoquinolin-4-yl)amino]butanoate;methyl 4-[7-bromo-5-hydroxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-5-ium-1-yl]butanoate;methyl 4-[7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[[7-bromo-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxobutyl]quinolin-4-yl]amino]butanoate;3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The InChIKey is JHHLWFWWTGQLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32BrN3O5.C23H30BrN5O4.C23H30BrN4O5.C23H29BrN4O4.C18H22BrN5O2.C14H16BrN3O2.C9H17NO4.3CH2Cl2.2CH4/c1-24(2,3)33-23(31)28(4)12-10-18(29)13-16-15-27-20-14-17(25)8-9-19(20)22(16)26-11-6-7-21(30)32-5;1-23(2,3)33-22(31)28(4)12-10-17-27-19-20(29(17)11-6-7-18(30)32-5)15-9-8-14(24)13-16(15)26-21(19)25;1-23(2,3)33-22(30)26(4)12-10-19-25-17-14-28(31)18-13-15(24)8-9-16(18)21(17)27(19)11-6-7-20(29)32-5;1-23(2,3)32-22(30)27(4)12-10-19-26-18-14-25-17-13-15(24)8-9-16(17)21(18)28(19)11-6-7-20(29)31-5;1-21-8-7-14-23-16-17(24(14)9-3-4-15(25)26-2)12-6-5-11(19)10-13(12)22-18(16)20;1-20-13(19)3-2-6-17-14-10-5-4-9(15)7-12(10)18-8-11(14)16;1-9(2,3)14-8(13)10(4)6-5-7(11)12;3*2-1-3;;/h8-9,14-15H,6-7,10-13H2,1-5H3,(H,26,27);8-9,13H,6-7,10-12H2,1-5H3,(H2,25,26);8-9,13-14,31H,6-7,10-12H2,1-5H3;8-9,13-14H,6-7,10-12H2,1-5H3;5-6,10,21H,3-4,7-9H2,1-2H3,(H2,20,22);4-5,7-8H,2-3,6,16H2,1H3,(H,17,18);5-6H2,1-4H3,(H,11,12);3*1H2;2*1H4/q;;+1;;;;;;;;;.
What are the key properties of tris(dichloromethane);methane;methyl 4-[4-amino-7-bromo-2-[2-(methylamino)ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[4-amino-7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[(3-amino-7-bromoquinolin-4-yl)amino]butanoate;methyl 4-[7-bromo-5-hydroxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-5-ium-1-yl]butanoate;methyl 4-[7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[[7-bromo-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxobutyl]quinolin-4-yl]amino]butanoate;3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
tris(dichloromethane);methane;methyl 4-[4-amino-7-bromo-2-[2-(methylamino)ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[4-amino-7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[(3-amino-7-bromoquinolin-4-yl)amino]butanoate;methyl 4-[7-bromo-5-hydroxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-5-ium-1-yl]butanoate;methyl 4-[7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[[7-bromo-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxobutyl]quinolin-4-yl]amino]butanoate;3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid has a molecular weight of 3319.34 g/mol, XLogP of 30.03, 46 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dichloromethane);methane;methyl 4-[4-amino-7-bromo-2-[2-(methylamino)ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[4-amino-7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[(3-amino-7-bromoquinolin-4-yl)amino]butanoate;methyl 4-[7-bromo-5-hydroxy-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-5-ium-1-yl]butanoate;methyl 4-[7-bromo-2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]imidazo[4,5-c]quinolin-1-yl]butanoate;methyl 4-[[7-bromo-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-oxobutyl]quinolin-4-yl]amino]butanoate;3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid is sourced from PubChem (CID 158202305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).