8-bromobenzo[c]quinolizin-11-ium-6-ol chloride

C13H9BrClNO — CID 10470674

IUPAC8-bromobenzo[c]quinolizin-11-ium-6-ol chloride
SMILESOc1cc2cccc[n+]2c2ccc(Br)cc12.[Cl-]
InChIInChI=1S/C13H8BrNO.ClH/c14-9-4-5-12-11(7-9)13(16)8-10-3-1-2-6-15(10)12;/h1-8H;1H
InChIKeyVBXFMVHYTUSYNB-UHFFFAOYSA-N
MW310.58 g/mol
LogP0.05
Rot. Bonds

About 8-bromobenzo[c]quinolizin-11-ium-6-ol chloride

8-bromobenzo[c]quinolizin-11-ium-6-ol chloride (PubChem CID 10470674) has the molecular formula C13H9BrClNO and a molecular weight of 310.58 g/mol. Its IUPAC name is 8-bromobenzo[c]quinolizin-11-ium-6-ol chloride.

Molecular Properties

Compound Name8-bromobenzo[c]quinolizin-11-ium-6-ol chloride
PubChem CID10470674
Molecular FormulaC13H9BrClNO
Molecular Weight310.58 g/mol
Exact Mass308.96
IUPAC Name8-bromobenzo[c]quinolizin-11-ium-6-ol chloride
SMILESOc1cc2cccc[n+]2c2ccc(Br)cc12.[Cl-]
InChIInChI=1S/C13H8BrNO.ClH/c14-9-4-5-12-11(7-9)13(16)8-10-3-1-2-6-15(10)12;/h1-8H;1H
InChIKeyVBXFMVHYTUSYNB-UHFFFAOYSA-N
XLogP0.05
TPSA24.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.58
LogP ≤ 50.05
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 8-bromobenzo[c]quinolizin-11-ium-6-ol chloride?
The IUPAC name of 8-bromobenzo[c]quinolizin-11-ium-6-ol chloride (CID 10470674) is 8-bromobenzo[c]quinolizin-11-ium-6-ol chloride.
What is the SMILES notation for 8-bromobenzo[c]quinolizin-11-ium-6-ol chloride?
The canonical SMILES for 8-bromobenzo[c]quinolizin-11-ium-6-ol chloride is Oc1cc2cccc[n+]2c2ccc(Br)cc12.[Cl-].
What is the InChIKey of 8-bromobenzo[c]quinolizin-11-ium-6-ol chloride?
The InChIKey is VBXFMVHYTUSYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNO.ClH/c14-9-4-5-12-11(7-9)13(16)8-10-3-1-2-6-15(10)12;/h1-8H;1H.
What are the key properties of 8-bromobenzo[c]quinolizin-11-ium-6-ol chloride?
8-bromobenzo[c]quinolizin-11-ium-6-ol chloride has a molecular weight of 310.58 g/mol, XLogP of 0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromobenzo[c]quinolizin-11-ium-6-ol chloride is sourced from PubChem (CID 10470674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).