N-(4-fluorophenyl)benzo[b]quinolizin-5-ium-9-amine

C19H14FN2+ — CID 86257749

IUPACN-(4-fluorophenyl)benzo[b]quinolizin-5-ium-9-amine
SMILESFc1ccc(Nc2ccc3c[n+]4ccccc4cc3c2)cc1
InChIInChI=1S/C19H13FN2/c20-16-5-8-17(9-6-16)21-18-7-4-14-13-22-10-2-1-3-19(22)12-15(14)11-18/h1-13H/p+1
InChIKeyWVGRTNARPIYYQO-UHFFFAOYSA-O
MW289.33 g/mol
LogP4.46
Rot. Bonds2

About N-(4-fluorophenyl)benzo[b]quinolizin-5-ium-9-amine

N-(4-fluorophenyl)benzo[b]quinolizin-5-ium-9-amine (PubChem CID 86257749) has the molecular formula C19H14FN2+ and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(4-fluorophenyl)benzo[b]quinolizin-5-ium-9-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)benzo[b]quinolizin-5-ium-9-amine
PubChem CID86257749
Molecular FormulaC19H14FN2+
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC NameN-(4-fluorophenyl)benzo[b]quinolizin-5-ium-9-amine
SMILESFc1ccc(Nc2ccc3c[n+]4ccccc4cc3c2)cc1
InChIInChI=1S/C19H13FN2/c20-16-5-8-17(9-6-16)21-18-7-4-14-13-22-10-2-1-3-19(22)12-15(14)11-18/h1-13H/p+1
InChIKeyWVGRTNARPIYYQO-UHFFFAOYSA-O
XLogP4.46
TPSA16.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)benzo[b]quinolizin-5-ium-9-amine?
The IUPAC name of N-(4-fluorophenyl)benzo[b]quinolizin-5-ium-9-amine (CID 86257749) is N-(4-fluorophenyl)benzo[b]quinolizin-5-ium-9-amine.
What is the SMILES notation for N-(4-fluorophenyl)benzo[b]quinolizin-5-ium-9-amine?
The canonical SMILES for N-(4-fluorophenyl)benzo[b]quinolizin-5-ium-9-amine is Fc1ccc(Nc2ccc3c[n+]4ccccc4cc3c2)cc1.
What is the InChIKey of N-(4-fluorophenyl)benzo[b]quinolizin-5-ium-9-amine?
The InChIKey is WVGRTNARPIYYQO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H13FN2/c20-16-5-8-17(9-6-16)21-18-7-4-14-13-22-10-2-1-3-19(22)12-15(14)11-18/h1-13H/p+1.
What are the key properties of N-(4-fluorophenyl)benzo[b]quinolizin-5-ium-9-amine?
N-(4-fluorophenyl)benzo[b]quinolizin-5-ium-9-amine has a molecular weight of 289.33 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)benzo[b]quinolizin-5-ium-9-amine is sourced from PubChem (CID 86257749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).