1-hydroxy-3-pyridin-2-ylquinolin-4-one

C14H10N2O2 — CID 54475265

IUPAC1-hydroxy-3-pyridin-2-ylquinolin-4-one
SMILESO=c1c(-c2ccccn2)cn(O)c2ccccc12
InChIInChI=1S/C14H10N2O2/c17-14-10-5-1-2-7-13(10)16(18)9-11(14)12-6-3-4-8-15-12/h1-9,18H
InChIKeyXLCQWKKJUGEBOQ-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.30
Rot. Bonds1

About 1-hydroxy-3-pyridin-2-ylquinolin-4-one

1-hydroxy-3-pyridin-2-ylquinolin-4-one (PubChem CID 54475265) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-hydroxy-3-pyridin-2-ylquinolin-4-one.

Molecular Properties

Compound Name1-hydroxy-3-pyridin-2-ylquinolin-4-one
PubChem CID54475265
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name1-hydroxy-3-pyridin-2-ylquinolin-4-one
SMILESO=c1c(-c2ccccn2)cn(O)c2ccccc12
InChIInChI=1S/C14H10N2O2/c17-14-10-5-1-2-7-13(10)16(18)9-11(14)12-6-3-4-8-15-12/h1-9,18H
InChIKeyXLCQWKKJUGEBOQ-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-pyridin-2-ylquinolin-4-one?
The IUPAC name of 1-hydroxy-3-pyridin-2-ylquinolin-4-one (CID 54475265) is 1-hydroxy-3-pyridin-2-ylquinolin-4-one.
What is the SMILES notation for 1-hydroxy-3-pyridin-2-ylquinolin-4-one?
The canonical SMILES for 1-hydroxy-3-pyridin-2-ylquinolin-4-one is O=c1c(-c2ccccn2)cn(O)c2ccccc12.
What is the InChIKey of 1-hydroxy-3-pyridin-2-ylquinolin-4-one?
The InChIKey is XLCQWKKJUGEBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c17-14-10-5-1-2-7-13(10)16(18)9-11(14)12-6-3-4-8-15-12/h1-9,18H.
What are the key properties of 1-hydroxy-3-pyridin-2-ylquinolin-4-one?
1-hydroxy-3-pyridin-2-ylquinolin-4-one has a molecular weight of 238.25 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-pyridin-2-ylquinolin-4-one is sourced from PubChem (CID 54475265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).