1-oxidoquinolin-1-ium-8-ol

C9H7NO2 — CID 14312

IUPAC1-oxidoquinolin-1-ium-8-ol
SMILES[O-][n+]1cccc2cccc(O)c21
InChIInChI=1S/C9H7NO2/c11-8-5-1-3-7-4-2-6-10(12)9(7)8/h1-6,11H
InChIKeyFJKUOCCQEBLPNX-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.18
Rot. Bonds

About 1-oxidoquinolin-1-ium-8-ol

1-oxidoquinolin-1-ium-8-ol (PubChem CID 14312) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 1-oxidoquinolin-1-ium-8-ol.

Molecular Properties

Compound Name1-oxidoquinolin-1-ium-8-ol
PubChem CID14312
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name1-oxidoquinolin-1-ium-8-ol
SMILES[O-][n+]1cccc2cccc(O)c21
InChIInChI=1S/C9H7NO2/c11-8-5-1-3-7-4-2-6-10(12)9(7)8/h1-6,11H
InChIKeyFJKUOCCQEBLPNX-UHFFFAOYSA-N
XLogP1.18
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-8-ol?
The IUPAC name of 1-oxidoquinolin-1-ium-8-ol (CID 14312) is 1-oxidoquinolin-1-ium-8-ol.
What is the SMILES notation for 1-oxidoquinolin-1-ium-8-ol?
The canonical SMILES for 1-oxidoquinolin-1-ium-8-ol is [O-][n+]1cccc2cccc(O)c21.
What is the InChIKey of 1-oxidoquinolin-1-ium-8-ol?
The InChIKey is FJKUOCCQEBLPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-8-5-1-3-7-4-2-6-10(12)9(7)8/h1-6,11H.
What are the key properties of 1-oxidoquinolin-1-ium-8-ol?
1-oxidoquinolin-1-ium-8-ol has a molecular weight of 161.16 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidoquinolin-1-ium-8-ol is sourced from PubChem (CID 14312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).