quinolizin-5-ium chloride

C9H8ClN — CID 19353587

IUPACquinolizin-5-ium chloride
SMILES[Cl-].c1cc[n+]2ccccc2c1
InChIInChI=1S/C9H8N.ClH/c1-3-7-10-8-4-2-6-9(10)5-1;/h1-8H;1H/q+1;/p-1
InChIKeyHQXYATMYKRMJIY-UHFFFAOYSA-M
MW165.62 g/mol
LogP-1.57
Rot. Bonds

About quinolizin-5-ium chloride

quinolizin-5-ium chloride (PubChem CID 19353587) has the molecular formula C9H8ClN and a molecular weight of 165.62 g/mol. Its IUPAC name is quinolizin-5-ium chloride.

Molecular Properties

Compound Namequinolizin-5-ium chloride
PubChem CID19353587
Molecular FormulaC9H8ClN
Molecular Weight165.62 g/mol
Exact Mass165.03
IUPAC Namequinolizin-5-ium chloride
SMILES[Cl-].c1cc[n+]2ccccc2c1
InChIInChI=1S/C9H8N.ClH/c1-3-7-10-8-4-2-6-9(10)5-1;/h1-8H;1H/q+1;/p-1
InChIKeyHQXYATMYKRMJIY-UHFFFAOYSA-M
XLogP-1.57
TPSA4.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 5-1.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of quinolizin-5-ium chloride?
The IUPAC name of quinolizin-5-ium chloride (CID 19353587) is quinolizin-5-ium chloride.
What is the SMILES notation for quinolizin-5-ium chloride?
The canonical SMILES for quinolizin-5-ium chloride is [Cl-].c1cc[n+]2ccccc2c1.
What is the InChIKey of quinolizin-5-ium chloride?
The InChIKey is HQXYATMYKRMJIY-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8N.ClH/c1-3-7-10-8-4-2-6-9(10)5-1;/h1-8H;1H/q+1;/p-1.
What are the key properties of quinolizin-5-ium chloride?
quinolizin-5-ium chloride has a molecular weight of 165.62 g/mol, XLogP of -1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for quinolizin-5-ium chloride is sourced from PubChem (CID 19353587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).