7-fluorobenzo[c]quinolizin-11-ium-6-ol chloride

C13H9ClFNO — CID 11482070

IUPAC7-fluorobenzo[c]quinolizin-11-ium-6-ol chloride
SMILESOc1cc2cccc[n+]2c2cccc(F)c12.[Cl-]
InChIInChI=1S/C13H8FNO.ClH/c14-10-5-3-6-11-13(10)12(16)8-9-4-1-2-7-15(9)11;/h1-8H;1H
InChIKeyICLLBGFQYKJWQM-UHFFFAOYSA-N
MW249.67 g/mol
LogP-0.57
Rot. Bonds

About 7-fluorobenzo[c]quinolizin-11-ium-6-ol chloride

7-fluorobenzo[c]quinolizin-11-ium-6-ol chloride (PubChem CID 11482070) has the molecular formula C13H9ClFNO and a molecular weight of 249.67 g/mol. Its IUPAC name is 7-fluorobenzo[c]quinolizin-11-ium-6-ol chloride.

Molecular Properties

Compound Name7-fluorobenzo[c]quinolizin-11-ium-6-ol chloride
PubChem CID11482070
Molecular FormulaC13H9ClFNO
Molecular Weight249.67 g/mol
Exact Mass249.04
IUPAC Name7-fluorobenzo[c]quinolizin-11-ium-6-ol chloride
SMILESOc1cc2cccc[n+]2c2cccc(F)c12.[Cl-]
InChIInChI=1S/C13H8FNO.ClH/c14-10-5-3-6-11-13(10)12(16)8-9-4-1-2-7-15(9)11;/h1-8H;1H
InChIKeyICLLBGFQYKJWQM-UHFFFAOYSA-N
XLogP-0.57
TPSA24.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.67
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluorobenzo[c]quinolizin-11-ium-6-ol chloride?
The IUPAC name of 7-fluorobenzo[c]quinolizin-11-ium-6-ol chloride (CID 11482070) is 7-fluorobenzo[c]quinolizin-11-ium-6-ol chloride.
What is the SMILES notation for 7-fluorobenzo[c]quinolizin-11-ium-6-ol chloride?
The canonical SMILES for 7-fluorobenzo[c]quinolizin-11-ium-6-ol chloride is Oc1cc2cccc[n+]2c2cccc(F)c12.[Cl-].
What is the InChIKey of 7-fluorobenzo[c]quinolizin-11-ium-6-ol chloride?
The InChIKey is ICLLBGFQYKJWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO.ClH/c14-10-5-3-6-11-13(10)12(16)8-9-4-1-2-7-15(9)11;/h1-8H;1H.
What are the key properties of 7-fluorobenzo[c]quinolizin-11-ium-6-ol chloride?
7-fluorobenzo[c]quinolizin-11-ium-6-ol chloride has a molecular weight of 249.67 g/mol, XLogP of -0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluorobenzo[c]quinolizin-11-ium-6-ol chloride is sourced from PubChem (CID 11482070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).