3H-imidazo[4,5-c]quinolin-2-ylmethyl acetate

C13H11N3O2 — CID 69335263

IUPAC3H-imidazo[4,5-c]quinolin-2-ylmethyl acetate
SMILESCC(=O)OCc1nc2c(cnc3ccccc32)[nH]1
InChIInChI=1S/C13H11N3O2/c1-8(17)18-7-12-15-11-6-14-10-5-3-2-4-9(10)13(11)16-12/h2-6H,7H2,1H3,(H,15,16)
InChIKeyLDGLTSABJMYRAQ-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.17
Rot. Bonds2

About 3H-imidazo[4,5-c]quinolin-2-ylmethyl acetate

3H-imidazo[4,5-c]quinolin-2-ylmethyl acetate (PubChem CID 69335263) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3H-imidazo[4,5-c]quinolin-2-ylmethyl acetate.

Molecular Properties

Compound Name3H-imidazo[4,5-c]quinolin-2-ylmethyl acetate
PubChem CID69335263
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3H-imidazo[4,5-c]quinolin-2-ylmethyl acetate
SMILESCC(=O)OCc1nc2c(cnc3ccccc32)[nH]1
InChIInChI=1S/C13H11N3O2/c1-8(17)18-7-12-15-11-6-14-10-5-3-2-4-9(10)13(11)16-12/h2-6H,7H2,1H3,(H,15,16)
InChIKeyLDGLTSABJMYRAQ-UHFFFAOYSA-N
XLogP2.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3H-imidazo[4,5-c]quinolin-2-ylmethyl acetate?
The IUPAC name of 3H-imidazo[4,5-c]quinolin-2-ylmethyl acetate (CID 69335263) is 3H-imidazo[4,5-c]quinolin-2-ylmethyl acetate.
What is the SMILES notation for 3H-imidazo[4,5-c]quinolin-2-ylmethyl acetate?
The canonical SMILES for 3H-imidazo[4,5-c]quinolin-2-ylmethyl acetate is CC(=O)OCc1nc2c(cnc3ccccc32)[nH]1.
What is the InChIKey of 3H-imidazo[4,5-c]quinolin-2-ylmethyl acetate?
The InChIKey is LDGLTSABJMYRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8(17)18-7-12-15-11-6-14-10-5-3-2-4-9(10)13(11)16-12/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 3H-imidazo[4,5-c]quinolin-2-ylmethyl acetate?
3H-imidazo[4,5-c]quinolin-2-ylmethyl acetate has a molecular weight of 241.25 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-imidazo[4,5-c]quinolin-2-ylmethyl acetate is sourced from PubChem (CID 69335263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).