8-hydroxy-3-(pyridin-2-ylmethyl)quinazolin-4-one

C14H11N3O2 — CID 59242565

IUPAC8-hydroxy-3-(pyridin-2-ylmethyl)quinazolin-4-one
SMILESO=c1c2cccc(O)c2ncn1Cc1ccccn1
InChIInChI=1S/C14H11N3O2/c18-12-6-3-5-11-13(12)16-9-17(14(11)19)8-10-4-1-2-7-15-10/h1-7,9,18H,8H2
InChIKeyAYUXSWGLIBWRKQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.55
Rot. Bonds2

About 8-hydroxy-3-(pyridin-2-ylmethyl)quinazolin-4-one

8-hydroxy-3-(pyridin-2-ylmethyl)quinazolin-4-one (PubChem CID 59242565) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 8-hydroxy-3-(pyridin-2-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name8-hydroxy-3-(pyridin-2-ylmethyl)quinazolin-4-one
PubChem CID59242565
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name8-hydroxy-3-(pyridin-2-ylmethyl)quinazolin-4-one
SMILESO=c1c2cccc(O)c2ncn1Cc1ccccn1
InChIInChI=1S/C14H11N3O2/c18-12-6-3-5-11-13(12)16-9-17(14(11)19)8-10-4-1-2-7-15-10/h1-7,9,18H,8H2
InChIKeyAYUXSWGLIBWRKQ-UHFFFAOYSA-N
XLogP1.55
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-3-(pyridin-2-ylmethyl)quinazolin-4-one?
The IUPAC name of 8-hydroxy-3-(pyridin-2-ylmethyl)quinazolin-4-one (CID 59242565) is 8-hydroxy-3-(pyridin-2-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 8-hydroxy-3-(pyridin-2-ylmethyl)quinazolin-4-one?
The canonical SMILES for 8-hydroxy-3-(pyridin-2-ylmethyl)quinazolin-4-one is O=c1c2cccc(O)c2ncn1Cc1ccccn1.
What is the InChIKey of 8-hydroxy-3-(pyridin-2-ylmethyl)quinazolin-4-one?
The InChIKey is AYUXSWGLIBWRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-12-6-3-5-11-13(12)16-9-17(14(11)19)8-10-4-1-2-7-15-10/h1-7,9,18H,8H2.
What are the key properties of 8-hydroxy-3-(pyridin-2-ylmethyl)quinazolin-4-one?
8-hydroxy-3-(pyridin-2-ylmethyl)quinazolin-4-one has a molecular weight of 253.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-3-(pyridin-2-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 59242565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).