7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine

C17H21ClN4O — CID 155213434

IUPAC7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3cc(Cl)ccc3c2n1CC(C)C
InChIInChI=1S/C17H21ClN4O/c1-4-23-9-14-21-15-16(22(14)8-10(2)3)12-6-5-11(18)7-13(12)20-17(15)19/h5-7,10H,4,8-9H2,1-3H3,(H2,19,20)
InChIKeyVKGYJTKACRVLNG-UHFFFAOYSA-N
MW332.84 g/mol
LogP4.01
Rot. Bonds5

About 7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine

7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine (PubChem CID 155213434) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is 7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
PubChem CID155213434
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3cc(Cl)ccc3c2n1CC(C)C
InChIInChI=1S/C17H21ClN4O/c1-4-23-9-14-21-15-16(22(14)8-10(2)3)12-6-5-11(18)7-13(12)20-17(15)19/h5-7,10H,4,8-9H2,1-3H3,(H2,19,20)
InChIKeyVKGYJTKACRVLNG-UHFFFAOYSA-N
XLogP4.01
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Resiquimod
CID 159603
4-Amino-2-((ethylamino)methyl)-alpha,alpha-dimethyl-1H-imidazo(4,5-c)quinoline-1-ethanol
CID 44592366
1-(4-Amino-2-Butyl-1h-Imidazo[4,5-C]quinolin-1-Yl)-2-Methylpropan-2-Ol
CID 21470208
N-(2-chloro-6-methylphenyl)-12-morpholin-4-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 9908658
1-Benzyl-2-ethyl-1H-imidazo[4,5-c]quinolin-4-amine
CID 46830487
Bbiq
CID 46830489
8-chloro-N-(3-morpholinopropyl)-5H-pyrimido[5,4-b]indol-4-amine
CID 661700
2-(Ethoxymethyl)-1h-Imidazo[4,5-C]quinolin-4-Amine
CID 11579618
7-chloro-N-[(1-methyl-4-phenyl-imidazol-2-yl)methyl]quinolin-4-amine
CID 71461746
1-[4-Amino-7-chloro-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 10089136
1-Benzyl-2-methyl-1H-imidazo[4,5-c]quinolin-4-amine
CID 13982892
8-(2-Chlorophenyl)-6-(4-ethylpiperazin-1-yl)-9-(2-methoxyethyl)-2-methylpurine
CID 58459093

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine (CID 155213434) is 7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine is CCOCc1nc2c(N)nc3cc(Cl)ccc3c2n1CC(C)C.
What is the InChIKey of 7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine?
The InChIKey is VKGYJTKACRVLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-4-23-9-14-21-15-16(22(14)8-10(2)3)12-6-5-11(18)7-13(12)20-17(15)19/h5-7,10H,4,8-9H2,1-3H3,(H2,19,20).
What are the key properties of 7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine?
7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine has a molecular weight of 332.84 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(ethoxymethyl)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 155213434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).