6-(1-oxidopyridin-1-ium-3-yl)-1H-quinolin-2-one

C14H10N2O2 — CID 3086458

IUPAC6-(1-oxidopyridin-1-ium-3-yl)-1H-quinolin-2-one
SMILESO=c1ccc2cc(-c3ccc[n+]([O-])c3)ccc2[nH]1
InChIInChI=1S/C14H10N2O2/c17-14-6-4-11-8-10(3-5-13(11)15-14)12-2-1-7-16(18)9-12/h1-9H,(H,15,17)
InChIKeyHPAAOXGREKAZDQ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.83
Rot. Bonds1

About 6-(1-oxidopyridin-1-ium-3-yl)-1H-quinolin-2-one

6-(1-oxidopyridin-1-ium-3-yl)-1H-quinolin-2-one (PubChem CID 3086458) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-(1-oxidopyridin-1-ium-3-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(1-oxidopyridin-1-ium-3-yl)-1H-quinolin-2-one
PubChem CID3086458
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name6-(1-oxidopyridin-1-ium-3-yl)-1H-quinolin-2-one
SMILESO=c1ccc2cc(-c3ccc[n+]([O-])c3)ccc2[nH]1
InChIInChI=1S/C14H10N2O2/c17-14-6-4-11-8-10(3-5-13(11)15-14)12-2-1-7-16(18)9-12/h1-9H,(H,15,17)
InChIKeyHPAAOXGREKAZDQ-UHFFFAOYSA-N
XLogP1.83
TPSA59.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.83
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 6-(1-oxidopyridin-1-ium-3-yl)-1H-quinolin-2-one?
The IUPAC name of 6-(1-oxidopyridin-1-ium-3-yl)-1H-quinolin-2-one (CID 3086458) is 6-(1-oxidopyridin-1-ium-3-yl)-1H-quinolin-2-one.
What is the SMILES notation for 6-(1-oxidopyridin-1-ium-3-yl)-1H-quinolin-2-one?
The canonical SMILES for 6-(1-oxidopyridin-1-ium-3-yl)-1H-quinolin-2-one is O=c1ccc2cc(-c3ccc[n+]([O-])c3)ccc2[nH]1.
What is the InChIKey of 6-(1-oxidopyridin-1-ium-3-yl)-1H-quinolin-2-one?
The InChIKey is HPAAOXGREKAZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-14-6-4-11-8-10(3-5-13(11)15-14)12-2-1-7-16(18)9-12/h1-9H,(H,15,17).
What are the key properties of 6-(1-oxidopyridin-1-ium-3-yl)-1H-quinolin-2-one?
6-(1-oxidopyridin-1-ium-3-yl)-1H-quinolin-2-one has a molecular weight of 238.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-oxidopyridin-1-ium-3-yl)-1H-quinolin-2-one is sourced from PubChem (CID 3086458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).