benzo[c]quinolizin-11-ium-6-amine;hydrochloride

C13H12ClN2+ — CID 22987948

IUPACbenzo[c]quinolizin-11-ium-6-amine;hydrochloride
SMILESCl.Nc1cc2cccc[n+]2c2ccccc12
InChIInChI=1S/C13H10N2.ClH/c14-12-9-10-5-3-4-8-15(10)13-7-2-1-6-11(12)13;/h1-9,14H;1H/p+1
InChIKeyIHMMGWHUSNGIME-UHFFFAOYSA-O
MW231.71 g/mol
LogP2.58
Rot. Bonds

About benzo[c]quinolizin-11-ium-6-amine;hydrochloride

benzo[c]quinolizin-11-ium-6-amine;hydrochloride (PubChem CID 22987948) has the molecular formula C13H12ClN2+ and a molecular weight of 231.71 g/mol. Its IUPAC name is benzo[c]quinolizin-11-ium-6-amine;hydrochloride.

Molecular Properties

Compound Namebenzo[c]quinolizin-11-ium-6-amine;hydrochloride
PubChem CID22987948
Molecular FormulaC13H12ClN2+
Molecular Weight231.71 g/mol
Exact Mass231.07
IUPAC Namebenzo[c]quinolizin-11-ium-6-amine;hydrochloride
SMILESCl.Nc1cc2cccc[n+]2c2ccccc12
InChIInChI=1S/C13H10N2.ClH/c14-12-9-10-5-3-4-8-15(10)13-7-2-1-6-11(12)13;/h1-9,14H;1H/p+1
InChIKeyIHMMGWHUSNGIME-UHFFFAOYSA-O
XLogP2.58
TPSA30.12 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.71
LogP ≤ 52.58
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'}

Analyze benzo[c]quinolizin-11-ium-6-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzo[c]quinolizin-11-ium-6-amine;hydrochloride?
The IUPAC name of benzo[c]quinolizin-11-ium-6-amine;hydrochloride (CID 22987948) is benzo[c]quinolizin-11-ium-6-amine;hydrochloride.
What is the SMILES notation for benzo[c]quinolizin-11-ium-6-amine;hydrochloride?
The canonical SMILES for benzo[c]quinolizin-11-ium-6-amine;hydrochloride is Cl.Nc1cc2cccc[n+]2c2ccccc12.
What is the InChIKey of benzo[c]quinolizin-11-ium-6-amine;hydrochloride?
The InChIKey is IHMMGWHUSNGIME-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H10N2.ClH/c14-12-9-10-5-3-4-8-15(10)13-7-2-1-6-11(12)13;/h1-9,14H;1H/p+1.
What are the key properties of benzo[c]quinolizin-11-ium-6-amine;hydrochloride?
benzo[c]quinolizin-11-ium-6-amine;hydrochloride has a molecular weight of 231.71 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[c]quinolizin-11-ium-6-amine;hydrochloride is sourced from PubChem (CID 22987948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).