[(2R)-2-acetyloxy-3-[2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethoxy-hydroxyphosphoryl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-cyanoethoxy-(propan-2-ylamino)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethanol;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;methane

C82H140N13O24P3 — CID 165056718

IUPAC[(2R)-2-acetyloxy-3-[2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethoxy-hydroxyphosphoryl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-cyanoethoxy-(propan-2-ylamino)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethanol;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;methane
SMILESC.C.C.CC(=O)OC[C@H](CO)OC(C)=O.CC(=O)OC[C@H](COP(NC(C)C)OCCC#N)OC(C)=O.CC(C)N(C(C)C)P(OCCC#N)N(C(C)C)C(C)C.CCCCc1nc2c(N)nc3cc(OCCO)ccc3c2n1CCC.CCCCc1nc2c(N)nc3cc(OCCOP(=O)(O)OC[C@@H](COC(C)=O)OC(C)=O)ccc3c2n1CCO
InChIInChI=1S/C25H35N4O10P.C19H26N4O2.C15H32N3OP.C13H23N2O6P.C7H12O5.3CH4/c1-4-5-6-22-28-23-24(29(22)9-10-30)20-8-7-18(13-21(20)27-25(23)26)35-11-12-37-40(33,34)38-15-19(39-17(3)32)14-36-16(2)31;1-3-5-6-16-22-17-18(23(16)9-4-2)14-8-7-13(25-11-10-24)12-15(14)21-19(17)20;1-12(2)17(13(3)4)20(19-11-9-10-16)18(14(5)6)15(7)8;1-10(2)15-22(19-7-5-6-14)20-9-13(21-12(4)17)8-18-11(3)16;1-5(9)11-4-7(3-8)12-6(2)10;;;/h7-8,13,19,30H,4-6,9-12,14-15H2,1-3H3,(H2,26,27)(H,33,34);7-8,12,24H,3-6,9-11H2,1-2H3,(H2,20,21);12-15H,9,11H2,1-8H3;10,13,15H,5,7-9H2,1-4H3;7-8H,3-4H2,1-2H3;3*1H4/t19-;;;13-,22?;7-;;;/m1..10.../s1
InChIKeyQNYDADFHDJZYPP-BKZLOGBKSA-N
MW1785.01 g/mol
LogP13.22
Rot. Bonds48

About [(2R)-2-acetyloxy-3-[2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethoxy-hydroxyphosphoryl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-cyanoethoxy-(propan-2-ylamino)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethanol;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;methane

[(2R)-2-acetyloxy-3-[2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethoxy-hydroxyphosphoryl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-cyanoethoxy-(propan-2-ylamino)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethanol;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;methane (PubChem CID 165056718) has the molecular formula C82H140N13O24P3 and a molecular weight of 1785.01 g/mol. Its IUPAC name is [(2R)-2-acetyloxy-3-[2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethoxy-hydroxyphosphoryl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-cyanoethoxy-(propan-2-ylamino)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethanol;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;methane.

Molecular Properties

Compound Name[(2R)-2-acetyloxy-3-[2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethoxy-hydroxyphosphoryl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-cyanoethoxy-(propan-2-ylamino)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethanol;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;methane
PubChem CID165056718
Molecular FormulaC82H140N13O24P3
Molecular Weight1785.01 g/mol
Exact Mass1783.93
IUPAC Name[(2R)-2-acetyloxy-3-[2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethoxy-hydroxyphosphoryl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-cyanoethoxy-(propan-2-ylamino)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethanol;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;methane
SMILESC.C.C.CC(=O)OC[C@H](CO)OC(C)=O.CC(=O)OC[C@H](COP(NC(C)C)OCCC#N)OC(C)=O.CC(C)N(C(C)C)P(OCCC#N)N(C(C)C)C(C)C.CCCCc1nc2c(N)nc3cc(OCCO)ccc3c2n1CCC.CCCCc1nc2c(N)nc3cc(OCCOP(=O)(O)OC[C@@H](COC(C)=O)OC(C)=O)ccc3c2n1CCO
InChIInChI=1S/C25H35N4O10P.C19H26N4O2.C15H32N3OP.C13H23N2O6P.C7H12O5.3CH4/c1-4-5-6-22-28-23-24(29(22)9-10-30)20-8-7-18(13-21(20)27-25(23)26)35-11-12-37-40(33,34)38-15-19(39-17(3)32)14-36-16(2)31;1-3-5-6-16-22-17-18(23(16)9-4-2)14-8-7-13(25-11-10-24)12-15(14)21-19(17)20;1-12(2)17(13(3)4)20(19-11-9-10-16)18(14(5)6)15(7)8;1-10(2)15-22(19-7-5-6-14)20-9-13(21-12(4)17)8-18-11(3)16;1-5(9)11-4-7(3-8)12-6(2)10;;;/h7-8,13,19,30H,4-6,9-12,14-15H2,1-3H3,(H2,26,27)(H,33,34);7-8,12,24H,3-6,9-11H2,1-2H3,(H2,20,21);12-15H,9,11H2,1-8H3;10,13,15H,5,7-9H2,1-4H3;7-8H,3-4H2,1-2H3;3*1H4/t19-;;;13-,22?;7-;;;/m1..10.../s1
InChIKeyQNYDADFHDJZYPP-BKZLOGBKSA-N
XLogP13.22
TPSA499.95 Ų
H-Bond Donors7
H-Bond Acceptors36
Rotatable Bonds48
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001785.01
LogP ≤ 513.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [(2R)-2-acetyloxy-3-[2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethoxy-hydroxyphosphoryl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-cyanoethoxy-(propan-2-ylamino)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethanol;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;methane 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

[(2S)-2-acetyloxy-3-[2-[2-[2-[2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethoxy-hydroxyphosphoryl]oxyethoxy]ethoxy]ethoxy]propyl] acetate;[(2S)-2-acetyloxy-3-[2-[2-[2-[[di(propan-2-yl)amino]-(ethoxymethylamino)phosphanyl]oxyethoxy]ethoxy]ethoxy]propyl] acetate;[(2S)-2-acetyloxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl] acetate;2-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethanol;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;methane
CID 165029544
2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl [(2R)-2-methylbutyl] hydrogen phosphate
CID 160668217
[(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-hydroxyphosphanyl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy-(2-isocyanoethoxy)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethanol;N-[[di(propan-2-yl)amino]-(2-isocyanoethoxy)phosphanyl]-N-propan-2-ylpropan-2-amine;vanadium
CID 158742163
3-[2-[4-amino-2-(butylamino)-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethoxy-hydroxyphosphoryl]oxypropyl acetate
CID 134344117
methyl 1-(2-acetyloxypropyl)-4-amino-2-butylimidazo[4,5-c]quinoline-7-carboxylate
CID 130290425
methyl 4-amino-2-butyl-1-(2-methylsulfanylethyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289620
7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 58833712
tert-butyl N-[2-(4-amino-2-ethyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethyl]carbamate;1-ethoxy-3-methylbutane
CID 143030078
2-butyl-1-ethyl-7-(4-propoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine
CID 153388877
N-[6-[4-amino-2-(ethoxymethyl)-1-[2-(methanesulfonamido)-2-methylpropyl]imidazo[4,5-c]quinolin-7-yl]oxyhexyl]acetamide
CID 11663966
1-[3-[4-amino-1-(4-aminobutyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]oxypropyl]pyrrolidin-2-one
CID 58833657
methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289685

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-acetyloxy-3-[2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethoxy-hydroxyphosphoryl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-cyanoethoxy-(propan-2-ylamino)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethanol;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;methane?
The IUPAC name of [(2R)-2-acetyloxy-3-[2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethoxy-hydroxyphosphoryl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-cyanoethoxy-(propan-2-ylamino)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethanol;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;methane (CID 165056718) is [(2R)-2-acetyloxy-3-[2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethoxy-hydroxyphosphoryl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-cyanoethoxy-(propan-2-ylamino)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethanol;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;methane.
What is the SMILES notation for [(2R)-2-acetyloxy-3-[2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethoxy-hydroxyphosphoryl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-cyanoethoxy-(propan-2-ylamino)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethanol;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;methane?
The canonical SMILES for [(2R)-2-acetyloxy-3-[2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethoxy-hydroxyphosphoryl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-cyanoethoxy-(propan-2-ylamino)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethanol;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;methane is C.C.C.CC(=O)OC[C@H](CO)OC(C)=O.CC(=O)OC[C@H](COP(NC(C)C)OCCC#N)OC(C)=O.CC(C)N(C(C)C)P(OCCC#N)N(C(C)C)C(C)C.CCCCc1nc2c(N)nc3cc(OCCO)ccc3c2n1CCC.CCCCc1nc2c(N)nc3cc(OCCOP(=O)(O)OC[C@@H](COC(C)=O)OC(C)=O)ccc3c2n1CCO.
What is the InChIKey of [(2R)-2-acetyloxy-3-[2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethoxy-hydroxyphosphoryl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-cyanoethoxy-(propan-2-ylamino)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethanol;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;methane?
The InChIKey is QNYDADFHDJZYPP-BKZLOGBKSA-N. The full InChI is InChI=1S/C25H35N4O10P.C19H26N4O2.C15H32N3OP.C13H23N2O6P.C7H12O5.3CH4/c1-4-5-6-22-28-23-24(29(22)9-10-30)20-8-7-18(13-21(20)27-25(23)26)35-11-12-37-40(33,34)38-15-19(39-17(3)32)14-36-16(2)31;1-3-5-6-16-22-17-18(23(16)9-4-2)14-8-7-13(25-11-10-24)12-15(14)21-19(17)20;1-12(2)17(13(3)4)20(19-11-9-10-16)18(14(5)6)15(7)8;1-10(2)15-22(19-7-5-6-14)20-9-13(21-12(4)17)8-18-11(3)16;1-5(9)11-4-7(3-8)12-6(2)10;;;/h7-8,13,19,30H,4-6,9-12,14-15H2,1-3H3,(H2,26,27)(H,33,34);7-8,12,24H,3-6,9-11H2,1-2H3,(H2,20,21);12-15H,9,11H2,1-8H3;10,13,15H,5,7-9H2,1-4H3;7-8H,3-4H2,1-2H3;3*1H4/t19-;;;13-,22?;7-;;;/m1..10.../s1.
What are the key properties of [(2R)-2-acetyloxy-3-[2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethoxy-hydroxyphosphoryl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-cyanoethoxy-(propan-2-ylamino)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethanol;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;methane?
[(2R)-2-acetyloxy-3-[2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethoxy-hydroxyphosphoryl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-cyanoethoxy-(propan-2-ylamino)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethanol;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;methane has a molecular weight of 1785.01 g/mol, XLogP of 13.22, 48 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-acetyloxy-3-[2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethoxy-hydroxyphosphoryl]oxypropyl] acetate;[(2R)-2-acetyloxy-3-[2-cyanoethoxy-(propan-2-ylamino)phosphanyl]oxypropyl] acetate;[(2S)-2-acetyloxy-3-hydroxypropyl] acetate;2-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxyethanol;3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile;methane is sourced from PubChem (CID 165056718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).