3-[4-amino-2-ethyl-1-(2-hydroxy-2-methylbutyl)imidazo[4,5-c]quinolin-7-yl]-N,N-dimethylpropanamide

C22H31N5O2 — CID 143283911

IUPAC3-[4-amino-2-ethyl-1-(2-hydroxy-2-methylbutyl)imidazo[4,5-c]quinolin-7-yl]-N,N-dimethylpropanamide
SMILESCCc1nc2c(N)nc3cc(CCC(=O)N(C)C)ccc3c2n1CC(C)(O)CC
InChIInChI=1S/C22H31N5O2/c1-6-17-25-19-20(27(17)13-22(3,29)7-2)15-10-8-14(9-11-18(28)26(4)5)12-16(15)24-21(19)23/h8,10,12,29H,6-7,9,11,13H2,1-5H3,(H2,23,24)
InChIKeyNVYMASMUJUZTNG-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.91
Rot. Bonds7

About 3-[4-amino-2-ethyl-1-(2-hydroxy-2-methylbutyl)imidazo[4,5-c]quinolin-7-yl]-N,N-dimethylpropanamide

3-[4-amino-2-ethyl-1-(2-hydroxy-2-methylbutyl)imidazo[4,5-c]quinolin-7-yl]-N,N-dimethylpropanamide (PubChem CID 143283911) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-[4-amino-2-ethyl-1-(2-hydroxy-2-methylbutyl)imidazo[4,5-c]quinolin-7-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-amino-2-ethyl-1-(2-hydroxy-2-methylbutyl)imidazo[4,5-c]quinolin-7-yl]-N,N-dimethylpropanamide
PubChem CID143283911
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name3-[4-amino-2-ethyl-1-(2-hydroxy-2-methylbutyl)imidazo[4,5-c]quinolin-7-yl]-N,N-dimethylpropanamide
SMILESCCc1nc2c(N)nc3cc(CCC(=O)N(C)C)ccc3c2n1CC(C)(O)CC
InChIInChI=1S/C22H31N5O2/c1-6-17-25-19-20(27(17)13-22(3,29)7-2)15-10-8-14(9-11-18(28)26(4)5)12-16(15)24-21(19)23/h8,10,12,29H,6-7,9,11,13H2,1-5H3,(H2,23,24)
InChIKeyNVYMASMUJUZTNG-UHFFFAOYSA-N
XLogP2.91
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-amino-2-ethyl-1-(2-hydroxy-2-methylbutyl)imidazo[4,5-c]quinolin-7-yl]-N,N-dimethylpropanamide 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

4-[4-amino-7-bromo-2-[[ethyl(methyl)amino]methyl]imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylbutanamide
CID 146561403
1-[4-amino-2-(methoxymethyl)-7-(4-methylsulfonylbutyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 146731928
1-[4-amino-7-[[4-(aminomethyl)phenyl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 175941260
3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol
CID 175941363
4-amino-2-butyl-1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazo[4,5-c]quinoline-7-carboxylic acid
CID 164869581
[4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate
CID 176885321
tert-butyl N-[[4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate
CID 176656377
1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 148598404
2-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)acetamide
CID 11623154
2-[[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]methyl]butanoic acid
CID 146521391
1-[4-amino-7-[[3-(aminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 175941252
1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-7-fluoro-2-(methylsulfinylmethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 161180886

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-2-ethyl-1-(2-hydroxy-2-methylbutyl)imidazo[4,5-c]quinolin-7-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-amino-2-ethyl-1-(2-hydroxy-2-methylbutyl)imidazo[4,5-c]quinolin-7-yl]-N,N-dimethylpropanamide (CID 143283911) is 3-[4-amino-2-ethyl-1-(2-hydroxy-2-methylbutyl)imidazo[4,5-c]quinolin-7-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-amino-2-ethyl-1-(2-hydroxy-2-methylbutyl)imidazo[4,5-c]quinolin-7-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-amino-2-ethyl-1-(2-hydroxy-2-methylbutyl)imidazo[4,5-c]quinolin-7-yl]-N,N-dimethylpropanamide is CCc1nc2c(N)nc3cc(CCC(=O)N(C)C)ccc3c2n1CC(C)(O)CC.
What is the InChIKey of 3-[4-amino-2-ethyl-1-(2-hydroxy-2-methylbutyl)imidazo[4,5-c]quinolin-7-yl]-N,N-dimethylpropanamide?
The InChIKey is NVYMASMUJUZTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-6-17-25-19-20(27(17)13-22(3,29)7-2)15-10-8-14(9-11-18(28)26(4)5)12-16(15)24-21(19)23/h8,10,12,29H,6-7,9,11,13H2,1-5H3,(H2,23,24).
What are the key properties of 3-[4-amino-2-ethyl-1-(2-hydroxy-2-methylbutyl)imidazo[4,5-c]quinolin-7-yl]-N,N-dimethylpropanamide?
3-[4-amino-2-ethyl-1-(2-hydroxy-2-methylbutyl)imidazo[4,5-c]quinolin-7-yl]-N,N-dimethylpropanamide has a molecular weight of 397.52 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-2-ethyl-1-(2-hydroxy-2-methylbutyl)imidazo[4,5-c]quinolin-7-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 143283911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).