1-oxidoquinolin-1-ium

C9H7NO — CID 15366

IUPAC1-oxidoquinolin-1-ium
SMILES[O-][n+]1cccc2ccccc21
InChIInChI=1S/C9H7NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyGIIWGCBLYNDKBO-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.47
Rot. Bonds

About 1-oxidoquinolin-1-ium

1-oxidoquinolin-1-ium (PubChem CID 15366) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 1-oxidoquinolin-1-ium.

Molecular Properties

Compound Name1-oxidoquinolin-1-ium
PubChem CID15366
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name1-oxidoquinolin-1-ium
SMILES[O-][n+]1cccc2ccccc21
InChIInChI=1S/C9H7NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyGIIWGCBLYNDKBO-UHFFFAOYSA-N
XLogP1.47
TPSA26.94 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-oxidoquinolin-1-ium 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 1-oxidoquinolin-1-ium?
The IUPAC name of 1-oxidoquinolin-1-ium (CID 15366) is 1-oxidoquinolin-1-ium.
What is the SMILES notation for 1-oxidoquinolin-1-ium?
The canonical SMILES for 1-oxidoquinolin-1-ium is [O-][n+]1cccc2ccccc21.
What is the InChIKey of 1-oxidoquinolin-1-ium?
The InChIKey is GIIWGCBLYNDKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H.
What are the key properties of 1-oxidoquinolin-1-ium?
1-oxidoquinolin-1-ium has a molecular weight of 145.16 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidoquinolin-1-ium is sourced from PubChem (CID 15366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).