2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-4-amine

C13H14N4O — CID 11579618

IUPAC2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c([nH]1)c(N)nc1ccccc12
InChIInChI=1S/C13H14N4O/c1-2-18-7-10-16-11-8-5-3-4-6-9(8)15-13(14)12(11)17-10/h3-6H,2,7H2,1H3,(H2,14,15)(H,16,17)
InChIKeyDEVCLHVFELRPIU-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.23
Rot. Bonds3

About 2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-4-amine

2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-4-amine (PubChem CID 11579618) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-4-amine
PubChem CID11579618
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c([nH]1)c(N)nc1ccccc12
InChIInChI=1S/C13H14N4O/c1-2-18-7-10-16-11-8-5-3-4-6-9(8)15-13(14)12(11)17-10/h3-6H,2,7H2,1H3,(H2,14,15)(H,16,17)
InChIKeyDEVCLHVFELRPIU-UHFFFAOYSA-N
XLogP2.23
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-4-amine (CID 11579618) is 2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-4-amine is CCOCc1nc2c([nH]1)c(N)nc1ccccc12.
What is the InChIKey of 2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-4-amine?
The InChIKey is DEVCLHVFELRPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-2-18-7-10-16-11-8-5-3-4-6-9(8)15-13(14)12(11)17-10/h3-6H,2,7H2,1H3,(H2,14,15)(H,16,17).
What are the key properties of 2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-4-amine?
2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-4-amine has a molecular weight of 242.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-3H-imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 11579618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).