2-(3-hydroxy-2-pyridinyl)-3H-quinazolin-4-one

C13H9N3O2 — CID 135573299

IUPAC2-(3-hydroxy-2-pyridinyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ncccc2O)nc2ccccc12
InChIInChI=1S/C13H9N3O2/c17-10-6-3-7-14-11(10)12-15-9-5-2-1-4-8(9)13(18)16-12/h1-7,17H,(H,15,16,18)
InChIKeyDFLPHUUSUILRHI-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.69
Rot. Bonds1

About 2-(3-hydroxy-2-pyridinyl)-3H-quinazolin-4-one

2-(3-hydroxy-2-pyridinyl)-3H-quinazolin-4-one (PubChem CID 135573299) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(3-hydroxy-2-pyridinyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-hydroxy-2-pyridinyl)-3H-quinazolin-4-one
PubChem CID135573299
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name2-(3-hydroxy-2-pyridinyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ncccc2O)nc2ccccc12
InChIInChI=1S/C13H9N3O2/c17-10-6-3-7-14-11(10)12-15-9-5-2-1-4-8(9)13(18)16-12/h1-7,17H,(H,15,16,18)
InChIKeyDFLPHUUSUILRHI-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 2-(3-hydroxy-2-pyridinyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(3-hydroxy-2-pyridinyl)-3H-quinazolin-4-one (CID 135573299) is 2-(3-hydroxy-2-pyridinyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3-hydroxy-2-pyridinyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(3-hydroxy-2-pyridinyl)-3H-quinazolin-4-one is O=c1[nH]c(-c2ncccc2O)nc2ccccc12.
What is the InChIKey of 2-(3-hydroxy-2-pyridinyl)-3H-quinazolin-4-one?
The InChIKey is DFLPHUUSUILRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-10-6-3-7-14-11(10)12-15-9-5-2-1-4-8(9)13(18)16-12/h1-7,17H,(H,15,16,18).
What are the key properties of 2-(3-hydroxy-2-pyridinyl)-3H-quinazolin-4-one?
2-(3-hydroxy-2-pyridinyl)-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 2-(3-hydroxy-2-pyridinyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135573299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).