2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl [(2R)-2-methylbutyl] hydrogen phosphate

C23H35N4O6P — CID 160668217

IUPAC2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl [(2R)-2-methylbutyl] hydrogen phosphate
SMILESCCCCc1nc2c(N)nc3cc(OCCOP(=O)(O)OC[C@H](C)CC)ccc3c2n1CCO
InChIInChI=1S/C23H35N4O6P/c1-4-6-7-20-26-21-22(27(20)10-11-28)18-9-8-17(14-19(18)25-23(21)24)31-12-13-32-34(29,30)33-15-16(3)5-2/h8-9,14,16,28H,4-7,10-13,15H2,1-3H3,(H2,24,25)(H,29,30)/t16-/m1/s1
InChIKeyQXIADWOPTOKKBZ-MRXNPFEDSA-N
MW494.53 g/mol
LogP4.06
Rot. Bonds14

About 2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl [(2R)-2-methylbutyl] hydrogen phosphate

2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl [(2R)-2-methylbutyl] hydrogen phosphate (PubChem CID 160668217) has the molecular formula C23H35N4O6P and a molecular weight of 494.53 g/mol. Its IUPAC name is 2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl [(2R)-2-methylbutyl] hydrogen phosphate.

Molecular Properties

Compound Name2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl [(2R)-2-methylbutyl] hydrogen phosphate
PubChem CID160668217
Molecular FormulaC23H35N4O6P
Molecular Weight494.53 g/mol
Exact Mass494.23
IUPAC Name2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl [(2R)-2-methylbutyl] hydrogen phosphate
SMILESCCCCc1nc2c(N)nc3cc(OCCOP(=O)(O)OC[C@H](C)CC)ccc3c2n1CCO
InChIInChI=1S/C23H35N4O6P/c1-4-6-7-20-26-21-22(27(20)10-11-28)18-9-8-17(14-19(18)25-23(21)24)31-12-13-32-34(29,30)33-15-16(3)5-2/h8-9,14,16,28H,4-7,10-13,15H2,1-3H3,(H2,24,25)(H,29,30)/t16-/m1/s1
InChIKeyQXIADWOPTOKKBZ-MRXNPFEDSA-N
XLogP4.06
TPSA141.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.53
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl [(2R)-2-methylbutyl] hydrogen phosphate 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

3-[2-[4-amino-2-(butylamino)-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethoxy-hydroxyphosphoryl]oxypropyl acetate
CID 134344117
[(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
[(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
7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 58833712
N-[3-[4-amino-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-7-yl]oxypropyl]cyclohexanecarboxamide
CID 11442679
2-butyl-1-ethyl-7-(4-propoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine
CID 153388877
2-(2-methoxyethyl)-1-(2-methylpropyl)-7-(2-pyrrol-1-ylethoxy)imidazo[4,5-c]quinolin-4-amine
CID 143012822
cesium;4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-ol;4-(4-amino-2-butyl-1-propylimidazo[4,5-c]quinolin-7-yl)oxybutan-1-ol;2-[2-(2-bromoethoxy)ethoxy]ethanol;dodeca-2,4,6,8,10-pentayne;methane;oxido formate
CID 164954126
methyl 4-amino-2-butyl-1-[2-(dimethylamino)ethyl]imidazo[4,5-c]quinoline-7-carboxylate
CID 171647408
methyl 4-amino-2-butyl-1-(2-methylsulfanylethyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289620
methyl 4-amino-2-butyl-1-(5-methoxy-5-oxopentyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289685
methyl 4-amino-2-butyl-1-(4-methoxy-4-oxobutyl)imidazo[4,5-c]quinoline-7-carboxylate
CID 130289627

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl [(2R)-2-methylbutyl] hydrogen phosphate?
The IUPAC name of 2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl [(2R)-2-methylbutyl] hydrogen phosphate (CID 160668217) is 2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl [(2R)-2-methylbutyl] hydrogen phosphate.
What is the SMILES notation for 2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl [(2R)-2-methylbutyl] hydrogen phosphate?
The canonical SMILES for 2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl [(2R)-2-methylbutyl] hydrogen phosphate is CCCCc1nc2c(N)nc3cc(OCCOP(=O)(O)OC[C@H](C)CC)ccc3c2n1CCO.
What is the InChIKey of 2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl [(2R)-2-methylbutyl] hydrogen phosphate?
The InChIKey is QXIADWOPTOKKBZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H35N4O6P/c1-4-6-7-20-26-21-22(27(20)10-11-28)18-9-8-17(14-19(18)25-23(21)24)31-12-13-32-34(29,30)33-15-16(3)5-2/h8-9,14,16,28H,4-7,10-13,15H2,1-3H3,(H2,24,25)(H,29,30)/t16-/m1/s1.
What are the key properties of 2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl [(2R)-2-methylbutyl] hydrogen phosphate?
2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl [(2R)-2-methylbutyl] hydrogen phosphate has a molecular weight of 494.53 g/mol, XLogP of 4.06, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl [(2R)-2-methylbutyl] hydrogen phosphate is sourced from PubChem (CID 160668217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).