3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol

C24H28N4O3 — CID 175941363

IUPAC3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol
SMILESCCOCc1nc2c(N)nc3cc(Cc4cccc(O)c4)ccc3c2n1CC(C)(C)O
InChIInChI=1S/C24H28N4O3/c1-4-31-13-20-27-21-22(28(20)14-24(2,3)30)18-9-8-16(12-19(18)26-23(21)25)10-15-6-5-7-17(29)11-15/h5-9,11-12,29-30H,4,10,13-14H2,1-3H3,(H2,25,26)
InChIKeyMMWZSULLIOLAEX-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.77
Rot. Bonds7

About 3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol

3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol (PubChem CID 175941363) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol
PubChem CID175941363
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol
SMILESCCOCc1nc2c(N)nc3cc(Cc4cccc(O)c4)ccc3c2n1CC(C)(C)O
InChIInChI=1S/C24H28N4O3/c1-4-31-13-20-27-21-22(28(20)14-24(2,3)30)18-9-8-16(12-19(18)26-23(21)25)10-15-6-5-7-17(29)11-15/h5-9,11-12,29-30H,4,10,13-14H2,1-3H3,(H2,25,26)
InChIKeyMMWZSULLIOLAEX-UHFFFAOYSA-N
XLogP3.77
TPSA106.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol?
The IUPAC name of 3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol (CID 175941363) is 3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol.
What is the SMILES notation for 3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol?
The canonical SMILES for 3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol is CCOCc1nc2c(N)nc3cc(Cc4cccc(O)c4)ccc3c2n1CC(C)(C)O.
What is the InChIKey of 3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol?
The InChIKey is MMWZSULLIOLAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-4-31-13-20-27-21-22(28(20)14-24(2,3)30)18-9-8-16(12-19(18)26-23(21)25)10-15-6-5-7-17(29)11-15/h5-9,11-12,29-30H,4,10,13-14H2,1-3H3,(H2,25,26).
What are the key properties of 3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol?
3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol has a molecular weight of 420.51 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol is sourced from PubChem (CID 175941363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).