2-Fluoroimidazo[4,5-e]quinoline

C10H6FN3 — CID 69566545

IUPAC2-fluoroimidazo[4,5-e]quinoline
SMILESC1=CC2=NC(=NC23C=CC=NC3=C1)F
InChIInChI=1S/C10H6FN3/c11-9-13-8-4-1-3-7-10(8,14-9)5-2-6-12-7/h1-6H
InChIKeyIYLBYNOYAKKDPS-UHFFFAOYSA-N
MW187.17 g/mol
LogP0.70
Rot. Bonds

About 2-Fluoroimidazo[4,5-e]quinoline

2-Fluoroimidazo[4,5-e]quinoline (PubChem CID 69566545) has the molecular formula C10H6FN3 and a molecular weight of 187.17 g/mol. Its IUPAC name is 2-fluoroimidazo[4,5-e]quinoline.

Molecular Properties

Compound Name2-Fluoroimidazo[4,5-e]quinoline
PubChem CID69566545
Molecular FormulaC10H6FN3
Molecular Weight187.17 g/mol
Exact Mass187.05
IUPAC Name2-fluoroimidazo[4,5-e]quinoline
SMILESC1=CC2=NC(=NC23C=CC=NC3=C1)F
InChIInChI=1S/C10H6FN3/c11-9-13-8-4-1-3-7-10(8,14-9)5-2-6-12-7/h1-6H
InChIKeyIYLBYNOYAKKDPS-UHFFFAOYSA-N
XLogP0.70
TPSA37.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity480

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-Fluoroimidazo[4,5-e]quinoline?
The IUPAC name of 2-Fluoroimidazo[4,5-e]quinoline (CID 69566545) is 2-fluoroimidazo[4,5-e]quinoline.
What is the SMILES notation for 2-Fluoroimidazo[4,5-e]quinoline?
The canonical SMILES for 2-Fluoroimidazo[4,5-e]quinoline is C1=CC2=NC(=NC23C=CC=NC3=C1)F.
What is the InChIKey of 2-Fluoroimidazo[4,5-e]quinoline?
The InChIKey is IYLBYNOYAKKDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3/c11-9-13-8-4-1-3-7-10(8,14-9)5-2-6-12-7/h1-6H.
What are the key properties of 2-Fluoroimidazo[4,5-e]quinoline?
2-Fluoroimidazo[4,5-e]quinoline has a molecular weight of 187.17 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Fluoroimidazo[4,5-e]quinoline is sourced from PubChem (CID 69566545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).