8-hydroxy-6-(2-oxo-1H-pyridin-3-yl)-3H-quinazolin-4-one

C13H9N3O3 — CID 136608410

IUPAC8-hydroxy-6-(2-oxo-1H-pyridin-3-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]cccc1-c1cc(O)c2nc[nH]c(=O)c2c1
InChIInChI=1S/C13H9N3O3/c17-10-5-7(8-2-1-3-14-12(8)18)4-9-11(10)15-6-16-13(9)19/h1-6,17H,(H,14,18)(H,15,16,19)
InChIKeyFCXCLKOMVAQIIX-UHFFFAOYSA-N
MW255.23 g/mol
LogP0.98
Rot. Bonds1

About 8-hydroxy-6-(2-oxo-1H-pyridin-3-yl)-3H-quinazolin-4-one

8-hydroxy-6-(2-oxo-1H-pyridin-3-yl)-3H-quinazolin-4-one (PubChem CID 136608410) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 8-hydroxy-6-(2-oxo-1H-pyridin-3-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-hydroxy-6-(2-oxo-1H-pyridin-3-yl)-3H-quinazolin-4-one
PubChem CID136608410
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name8-hydroxy-6-(2-oxo-1H-pyridin-3-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]cccc1-c1cc(O)c2nc[nH]c(=O)c2c1
InChIInChI=1S/C13H9N3O3/c17-10-5-7(8-2-1-3-14-12(8)18)4-9-11(10)15-6-16-13(9)19/h1-6,17H,(H,14,18)(H,15,16,19)
InChIKeyFCXCLKOMVAQIIX-UHFFFAOYSA-N
XLogP0.98
TPSA98.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-6-(2-oxo-1H-pyridin-3-yl)-3H-quinazolin-4-one?
The IUPAC name of 8-hydroxy-6-(2-oxo-1H-pyridin-3-yl)-3H-quinazolin-4-one (CID 136608410) is 8-hydroxy-6-(2-oxo-1H-pyridin-3-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 8-hydroxy-6-(2-oxo-1H-pyridin-3-yl)-3H-quinazolin-4-one?
The canonical SMILES for 8-hydroxy-6-(2-oxo-1H-pyridin-3-yl)-3H-quinazolin-4-one is O=c1[nH]cccc1-c1cc(O)c2nc[nH]c(=O)c2c1.
What is the InChIKey of 8-hydroxy-6-(2-oxo-1H-pyridin-3-yl)-3H-quinazolin-4-one?
The InChIKey is FCXCLKOMVAQIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c17-10-5-7(8-2-1-3-14-12(8)18)4-9-11(10)15-6-16-13(9)19/h1-6,17H,(H,14,18)(H,15,16,19).
What are the key properties of 8-hydroxy-6-(2-oxo-1H-pyridin-3-yl)-3H-quinazolin-4-one?
8-hydroxy-6-(2-oxo-1H-pyridin-3-yl)-3H-quinazolin-4-one has a molecular weight of 255.23 g/mol, XLogP of 0.98, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6-(2-oxo-1H-pyridin-3-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 136608410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).