7,8,9-trideuterio-3-methylimidazo[4,5-f]quinolin-2-amine

C11H10N4 — CID 131699298

IUPAC7,8,9-trideuterio-3-methylimidazo[4,5-f]quinolin-2-amine
SMILES[2H]c1nc2ccc3c(nc(N)n3C)c2c([2H])c1[2H]
InChIInChI=1S/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)/i2D,3D,6D
InChIKeyARZWATDYIYAUTA-WQNTXASMSA-N
MW201.25 g/mol
LogP1.70
Rot. Bonds

About 7,8,9-trideuterio-3-methylimidazo[4,5-f]quinolin-2-amine

7,8,9-trideuterio-3-methylimidazo[4,5-f]quinolin-2-amine (PubChem CID 131699298) has the molecular formula C11H10N4 and a molecular weight of 201.25 g/mol. Its IUPAC name is 7,8,9-trideuterio-3-methylimidazo[4,5-f]quinolin-2-amine.

Molecular Properties

Compound Name7,8,9-trideuterio-3-methylimidazo[4,5-f]quinolin-2-amine
PubChem CID131699298
Molecular FormulaC11H10N4
Molecular Weight201.25 g/mol
Exact Mass201.11
IUPAC Name7,8,9-trideuterio-3-methylimidazo[4,5-f]quinolin-2-amine
SMILES[2H]c1nc2ccc3c(nc(N)n3C)c2c([2H])c1[2H]
InChIInChI=1S/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)/i2D,3D,6D
InChIKeyARZWATDYIYAUTA-WQNTXASMSA-N
XLogP1.70
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8,9-trideuterio-3-methylimidazo[4,5-f]quinolin-2-amine?
The IUPAC name of 7,8,9-trideuterio-3-methylimidazo[4,5-f]quinolin-2-amine (CID 131699298) is 7,8,9-trideuterio-3-methylimidazo[4,5-f]quinolin-2-amine.
What is the SMILES notation for 7,8,9-trideuterio-3-methylimidazo[4,5-f]quinolin-2-amine?
The canonical SMILES for 7,8,9-trideuterio-3-methylimidazo[4,5-f]quinolin-2-amine is [2H]c1nc2ccc3c(nc(N)n3C)c2c([2H])c1[2H].
What is the InChIKey of 7,8,9-trideuterio-3-methylimidazo[4,5-f]quinolin-2-amine?
The InChIKey is ARZWATDYIYAUTA-WQNTXASMSA-N. The full InChI is InChI=1S/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)/i2D,3D,6D.
What are the key properties of 7,8,9-trideuterio-3-methylimidazo[4,5-f]quinolin-2-amine?
7,8,9-trideuterio-3-methylimidazo[4,5-f]quinolin-2-amine has a molecular weight of 201.25 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9-trideuterio-3-methylimidazo[4,5-f]quinolin-2-amine is sourced from PubChem (CID 131699298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).