6-hydroxy-2-pyridin-3-yl-3H-quinazolin-4-one

C13H9N3O2 — CID 135999602

IUPAC6-hydroxy-2-pyridin-3-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccnc2)nc2ccc(O)cc12
InChIInChI=1S/C13H9N3O2/c17-9-3-4-11-10(6-9)13(18)16-12(15-11)8-2-1-5-14-7-8/h1-7,17H,(H,15,16,18)
InChIKeyKOJVSCNCTDRYPE-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.69
Rot. Bonds1

About 6-hydroxy-2-pyridin-3-yl-3H-quinazolin-4-one

6-hydroxy-2-pyridin-3-yl-3H-quinazolin-4-one (PubChem CID 135999602) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 6-hydroxy-2-pyridin-3-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-hydroxy-2-pyridin-3-yl-3H-quinazolin-4-one
PubChem CID135999602
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name6-hydroxy-2-pyridin-3-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cccnc2)nc2ccc(O)cc12
InChIInChI=1S/C13H9N3O2/c17-9-3-4-11-10(6-9)13(18)16-12(15-11)8-2-1-5-14-7-8/h1-7,17H,(H,15,16,18)
InChIKeyKOJVSCNCTDRYPE-UHFFFAOYSA-N
XLogP1.69
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-pyridin-3-yl-3H-quinazolin-4-one?
The IUPAC name of 6-hydroxy-2-pyridin-3-yl-3H-quinazolin-4-one (CID 135999602) is 6-hydroxy-2-pyridin-3-yl-3H-quinazolin-4-one.
What is the SMILES notation for 6-hydroxy-2-pyridin-3-yl-3H-quinazolin-4-one?
The canonical SMILES for 6-hydroxy-2-pyridin-3-yl-3H-quinazolin-4-one is O=c1[nH]c(-c2cccnc2)nc2ccc(O)cc12.
What is the InChIKey of 6-hydroxy-2-pyridin-3-yl-3H-quinazolin-4-one?
The InChIKey is KOJVSCNCTDRYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-9-3-4-11-10(6-9)13(18)16-12(15-11)8-2-1-5-14-7-8/h1-7,17H,(H,15,16,18).
What are the key properties of 6-hydroxy-2-pyridin-3-yl-3H-quinazolin-4-one?
6-hydroxy-2-pyridin-3-yl-3H-quinazolin-4-one has a molecular weight of 239.23 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-pyridin-3-yl-3H-quinazolin-4-one is sourced from PubChem (CID 135999602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).