1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride

C17H22ClN4O2- — CID 76902470

IUPAC1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O.[Cl-]
InChIInChI=1S/C17H22N4O2.ClH/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18;/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19);1H/p-1
InChIKeyCHROBFQBODWJJD-UHFFFAOYSA-M
MW349.84 g/mol
LogP-0.52
Rot. Bonds5

About 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride

1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride (PubChem CID 76902470) has the molecular formula C17H22ClN4O2- and a molecular weight of 349.84 g/mol. Its IUPAC name is 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride.

Molecular Properties

Compound Name1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
PubChem CID76902470
Molecular FormulaC17H22ClN4O2-
Molecular Weight349.84 g/mol
Exact Mass349.14
IUPAC Name1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O.[Cl-]
InChIInChI=1S/C17H22N4O2.ClH/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18;/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19);1H/p-1
InChIKeyCHROBFQBODWJJD-UHFFFAOYSA-M
XLogP-0.52
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

O-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]hydroxylamine
CID 162361120
2-(ethoxymethyl)-1-ethylimidazo[4,5-c]quinolin-4-amine
CID 122646444
1-[4-amino-2-(trifluoromethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 149195534
1-[2-(ethoxymethyl)-4-(2-methylpropyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 163528617
1-[3-(dimethylaminosulfanyl)-2,2-dimethylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 143077937
3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol
CID 175941363
1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea
CID 11164204
1-[4-amino-7-[[4-(aminomethyl)phenyl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 175941260
1-(3-aminopropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 22344434
2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine
CID 118146427
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[1-(1-benzothiophen-2-yl)ethyl]-1-hydroxyurea
CID 11656870
2-amino-N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-2-methylpropanamide
CID 138719993

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride?
The IUPAC name of 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride (CID 76902470) is 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride.
What is the SMILES notation for 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride?
The canonical SMILES for 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride is CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O.[Cl-].
What is the InChIKey of 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride?
The InChIKey is CHROBFQBODWJJD-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18;/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19);1H/p-1.
What are the key properties of 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride?
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride has a molecular weight of 349.84 g/mol, XLogP of -0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride is sourced from PubChem (CID 76902470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).