(1-oxidoquinolin-1-ium-2-yl)-phenyldiazene

C15H11N3O — CID 123713673

IUPAC(1-oxidoquinolin-1-ium-2-yl)-phenyldiazene
SMILES[O-][n+]1c(/N=N/c2ccccc2)ccc2ccccc21
InChIInChI=1S/C15H11N3O/c19-18-14-9-5-4-6-12(14)10-11-15(18)17-16-13-7-2-1-3-8-13/h1-11H/b17-16+
InChIKeyRATPVOAXTYKMJD-WUKNDPDISA-N
MW249.27 g/mol
LogP3.89
Rot. Bonds2

About (1-oxidoquinolin-1-ium-2-yl)-phenyldiazene

(1-oxidoquinolin-1-ium-2-yl)-phenyldiazene (PubChem CID 123713673) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is (1-oxidoquinolin-1-ium-2-yl)-phenyldiazene.

Molecular Properties

Compound Name(1-oxidoquinolin-1-ium-2-yl)-phenyldiazene
PubChem CID123713673
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name(1-oxidoquinolin-1-ium-2-yl)-phenyldiazene
SMILES[O-][n+]1c(/N=N/c2ccccc2)ccc2ccccc21
InChIInChI=1S/C15H11N3O/c19-18-14-9-5-4-6-12(14)10-11-15(18)17-16-13-7-2-1-3-8-13/h1-11H/b17-16+
InChIKeyRATPVOAXTYKMJD-WUKNDPDISA-N
XLogP3.89
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-oxidoquinolin-1-ium-2-yl)-phenyldiazene?
The IUPAC name of (1-oxidoquinolin-1-ium-2-yl)-phenyldiazene (CID 123713673) is (1-oxidoquinolin-1-ium-2-yl)-phenyldiazene.
What is the SMILES notation for (1-oxidoquinolin-1-ium-2-yl)-phenyldiazene?
The canonical SMILES for (1-oxidoquinolin-1-ium-2-yl)-phenyldiazene is [O-][n+]1c(/N=N/c2ccccc2)ccc2ccccc21.
What is the InChIKey of (1-oxidoquinolin-1-ium-2-yl)-phenyldiazene?
The InChIKey is RATPVOAXTYKMJD-WUKNDPDISA-N. The full InChI is InChI=1S/C15H11N3O/c19-18-14-9-5-4-6-12(14)10-11-15(18)17-16-13-7-2-1-3-8-13/h1-11H/b17-16+.
What are the key properties of (1-oxidoquinolin-1-ium-2-yl)-phenyldiazene?
(1-oxidoquinolin-1-ium-2-yl)-phenyldiazene has a molecular weight of 249.27 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxidoquinolin-1-ium-2-yl)-phenyldiazene is sourced from PubChem (CID 123713673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).