naphtho[2,1-b]quinolizin-12-ium

C17H12N+ — CID 3613582

IUPACnaphtho[2,1-b]quinolizin-12-ium
SMILESc1ccc2c(c1)ccc1cc3cccc[n+]3cc12
InChIInChI=1S/C17H12N/c1-2-7-16-13(5-1)8-9-14-11-15-6-3-4-10-18(15)12-17(14)16/h1-12H/q+1
InChIKeyXIJAZDLUTLVFIU-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.73
Rot. Bonds

About naphtho[2,1-b]quinolizin-12-ium

naphtho[2,1-b]quinolizin-12-ium (PubChem CID 3613582) has the molecular formula C17H12N+ and a molecular weight of 230.29 g/mol. Its IUPAC name is naphtho[2,1-b]quinolizin-12-ium.

Molecular Properties

Compound Namenaphtho[2,1-b]quinolizin-12-ium
PubChem CID3613582
Molecular FormulaC17H12N+
Molecular Weight230.29 g/mol
Exact Mass230.10
IUPAC Namenaphtho[2,1-b]quinolizin-12-ium
SMILESc1ccc2c(c1)ccc1cc3cccc[n+]3cc12
InChIInChI=1S/C17H12N/c1-2-7-16-13(5-1)8-9-14-11-15-6-3-4-10-18(15)12-17(14)16/h1-12H/q+1
InChIKeyXIJAZDLUTLVFIU-UHFFFAOYSA-N
XLogP3.73
TPSA4.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'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 naphtho[2,1-b]quinolizin-12-ium?
The IUPAC name of naphtho[2,1-b]quinolizin-12-ium (CID 3613582) is naphtho[2,1-b]quinolizin-12-ium.
What is the SMILES notation for naphtho[2,1-b]quinolizin-12-ium?
The canonical SMILES for naphtho[2,1-b]quinolizin-12-ium is c1ccc2c(c1)ccc1cc3cccc[n+]3cc12.
What is the InChIKey of naphtho[2,1-b]quinolizin-12-ium?
The InChIKey is XIJAZDLUTLVFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N/c1-2-7-16-13(5-1)8-9-14-11-15-6-3-4-10-18(15)12-17(14)16/h1-12H/q+1.
What are the key properties of naphtho[2,1-b]quinolizin-12-ium?
naphtho[2,1-b]quinolizin-12-ium has a molecular weight of 230.29 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[2,1-b]quinolizin-12-ium is sourced from PubChem (CID 3613582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).