1-oxo-4H-quinolin-1-ium-2-ol

C9H8NO2+ — CID 21299120

IUPAC1-oxo-4H-quinolin-1-ium-2-ol
SMILESO=[N+]1C(O)=CCc2ccccc21
InChIInChI=1S/C9H7NO2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,6H,5H2/p+1
InChIKeyIMIOXNURIUDTAW-UHFFFAOYSA-O
MW162.17 g/mol
LogP2.05
Rot. Bonds

About 1-oxo-4H-quinolin-1-ium-2-ol

1-oxo-4H-quinolin-1-ium-2-ol (PubChem CID 21299120) has the molecular formula C9H8NO2+ and a molecular weight of 162.17 g/mol. Its IUPAC name is 1-oxo-4H-quinolin-1-ium-2-ol.

Molecular Properties

Compound Name1-oxo-4H-quinolin-1-ium-2-ol
PubChem CID21299120
Molecular FormulaC9H8NO2+
Molecular Weight162.17 g/mol
Exact Mass162.05
IUPAC Name1-oxo-4H-quinolin-1-ium-2-ol
SMILESO=[N+]1C(O)=CCc2ccccc21
InChIInChI=1S/C9H7NO2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,6H,5H2/p+1
InChIKeyIMIOXNURIUDTAW-UHFFFAOYSA-O
XLogP2.05
TPSA40.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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3H-2,1-benzoxazol-1-ium 1-oxide
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9H-benzo[7]annulene-5,7-diol
CID 143638866
3H-indene-1-sulfinic acid
CID 67326811
bicyclo[4.1.0]hepta-1,3,5-triene;methane
CID 157397080
3H-inden-1-ol;tris(propan-2-ol);titanium
CID 10338320
bis(benzene-1,2-diol);methane
CID 158804248
2-propan-2-ylidene-1,3-dihydroisoindol-2-ium
CID 168987701
1,3,4,5-tetrahydro-2-benzazepin-2-ium 2-oxide
CID 54012233
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Frequently Asked Questions

What is the IUPAC name of 1-oxo-4H-quinolin-1-ium-2-ol?
The IUPAC name of 1-oxo-4H-quinolin-1-ium-2-ol (CID 21299120) is 1-oxo-4H-quinolin-1-ium-2-ol.
What is the SMILES notation for 1-oxo-4H-quinolin-1-ium-2-ol?
The canonical SMILES for 1-oxo-4H-quinolin-1-ium-2-ol is O=[N+]1C(O)=CCc2ccccc21.
What is the InChIKey of 1-oxo-4H-quinolin-1-ium-2-ol?
The InChIKey is IMIOXNURIUDTAW-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H7NO2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,6H,5H2/p+1.
What are the key properties of 1-oxo-4H-quinolin-1-ium-2-ol?
1-oxo-4H-quinolin-1-ium-2-ol has a molecular weight of 162.17 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-4H-quinolin-1-ium-2-ol is sourced from PubChem (CID 21299120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).