3-methylimidazo[4,5-f]quinoline-2-sulfonic acid

C11H9N3O3S — CID 10106806

IUPAC3-methylimidazo[4,5-f]quinoline-2-sulfonic acid
SMILESCn1c(S(=O)(=O)O)nc2c3cccnc3ccc21
InChIInChI=1S/C11H9N3O3S/c1-14-9-5-4-8-7(3-2-6-12-8)10(9)13-11(14)18(15,16)17/h2-6H,1H3,(H,15,16,17)
InChIKeySXYFKSSUPNLTPT-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.37
Rot. Bonds1

About 3-methylimidazo[4,5-f]quinoline-2-sulfonic acid

3-methylimidazo[4,5-f]quinoline-2-sulfonic acid (PubChem CID 10106806) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 3-methylimidazo[4,5-f]quinoline-2-sulfonic acid.

Molecular Properties

Compound Name3-methylimidazo[4,5-f]quinoline-2-sulfonic acid
PubChem CID10106806
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name3-methylimidazo[4,5-f]quinoline-2-sulfonic acid
SMILESCn1c(S(=O)(=O)O)nc2c3cccnc3ccc21
InChIInChI=1S/C11H9N3O3S/c1-14-9-5-4-8-7(3-2-6-12-8)10(9)13-11(14)18(15,16)17/h2-6H,1H3,(H,15,16,17)
InChIKeySXYFKSSUPNLTPT-UHFFFAOYSA-N
XLogP1.37
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylimidazo[4,5-f]quinoline-2-sulfonic acid?
The IUPAC name of 3-methylimidazo[4,5-f]quinoline-2-sulfonic acid (CID 10106806) is 3-methylimidazo[4,5-f]quinoline-2-sulfonic acid.
What is the SMILES notation for 3-methylimidazo[4,5-f]quinoline-2-sulfonic acid?
The canonical SMILES for 3-methylimidazo[4,5-f]quinoline-2-sulfonic acid is Cn1c(S(=O)(=O)O)nc2c3cccnc3ccc21.
What is the InChIKey of 3-methylimidazo[4,5-f]quinoline-2-sulfonic acid?
The InChIKey is SXYFKSSUPNLTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c1-14-9-5-4-8-7(3-2-6-12-8)10(9)13-11(14)18(15,16)17/h2-6H,1H3,(H,15,16,17).
What are the key properties of 3-methylimidazo[4,5-f]quinoline-2-sulfonic acid?
3-methylimidazo[4,5-f]quinoline-2-sulfonic acid has a molecular weight of 263.28 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimidazo[4,5-f]quinoline-2-sulfonic acid is sourced from PubChem (CID 10106806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).