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

C13H9N3O — CID 135412668

IUPAC2-pyridin-4-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C13H9N3O/c17-13-10-3-1-2-4-11(10)15-12(16-13)9-5-7-14-8-6-9/h1-8H,(H,15,16,17)
InChIKeyQYVWMIMELRGQGM-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.99
Rot. Bonds1

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

2-pyridin-4-yl-3H-quinazolin-4-one (PubChem CID 135412668) has the molecular formula C13H9N3O and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-pyridin-4-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-pyridin-4-yl-3H-quinazolin-4-one
PubChem CID135412668
Molecular FormulaC13H9N3O
Molecular Weight223.24 g/mol
Exact Mass223.07
IUPAC Name2-pyridin-4-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C13H9N3O/c17-13-10-3-1-2-4-11(10)15-12(16-13)9-5-7-14-8-6-9/h1-8H,(H,15,16,17)
InChIKeyQYVWMIMELRGQGM-UHFFFAOYSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-3H-quinazolin-4-one?
The IUPAC name of 2-pyridin-4-yl-3H-quinazolin-4-one (CID 135412668) is 2-pyridin-4-yl-3H-quinazolin-4-one.
What is the SMILES notation for 2-pyridin-4-yl-3H-quinazolin-4-one?
The canonical SMILES for 2-pyridin-4-yl-3H-quinazolin-4-one is O=c1[nH]c(-c2ccncc2)nc2ccccc12.
What is the InChIKey of 2-pyridin-4-yl-3H-quinazolin-4-one?
The InChIKey is QYVWMIMELRGQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c17-13-10-3-1-2-4-11(10)15-12(16-13)9-5-7-14-8-6-9/h1-8H,(H,15,16,17).
What are the key properties of 2-pyridin-4-yl-3H-quinazolin-4-one?
2-pyridin-4-yl-3H-quinazolin-4-one has a molecular weight of 223.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-3H-quinazolin-4-one is sourced from PubChem (CID 135412668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).