benzo[b]quinolizin-5-ium-8-amine

C13H11N2+ — CID 15509758

IUPACbenzo[b]quinolizin-5-ium-8-amine
SMILESNc1ccc2cc3cccc[n+]3cc2c1
InChIInChI=1S/C13H11N2/c14-12-5-4-10-8-13-3-1-2-6-15(13)9-11(10)7-12/h1-9H,14H2/q+1
InChIKeyQVENJNXVELGRHV-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.16
Rot. Bonds

About benzo[b]quinolizin-5-ium-8-amine

benzo[b]quinolizin-5-ium-8-amine (PubChem CID 15509758) has the molecular formula C13H11N2+ and a molecular weight of 195.24 g/mol. Its IUPAC name is benzo[b]quinolizin-5-ium-8-amine.

Molecular Properties

Compound Namebenzo[b]quinolizin-5-ium-8-amine
PubChem CID15509758
Molecular FormulaC13H11N2+
Molecular Weight195.24 g/mol
Exact Mass195.09
IUPAC Namebenzo[b]quinolizin-5-ium-8-amine
SMILESNc1ccc2cc3cccc[n+]3cc2c1
InChIInChI=1S/C13H11N2/c14-12-5-4-10-8-13-3-1-2-6-15(13)9-11(10)7-12/h1-9H,14H2/q+1
InChIKeyQVENJNXVELGRHV-UHFFFAOYSA-N
XLogP2.16
TPSA30.12 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_B(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzo[b]quinolizin-5-ium-8-amine?
The IUPAC name of benzo[b]quinolizin-5-ium-8-amine (CID 15509758) is benzo[b]quinolizin-5-ium-8-amine.
What is the SMILES notation for benzo[b]quinolizin-5-ium-8-amine?
The canonical SMILES for benzo[b]quinolizin-5-ium-8-amine is Nc1ccc2cc3cccc[n+]3cc2c1.
What is the InChIKey of benzo[b]quinolizin-5-ium-8-amine?
The InChIKey is QVENJNXVELGRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N2/c14-12-5-4-10-8-13-3-1-2-6-15(13)9-11(10)7-12/h1-9H,14H2/q+1.
What are the key properties of benzo[b]quinolizin-5-ium-8-amine?
benzo[b]quinolizin-5-ium-8-amine has a molecular weight of 195.24 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[b]quinolizin-5-ium-8-amine is sourced from PubChem (CID 15509758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).