3-hydroxy-2-(4-methylphenyl)quinazolin-4-one

C15H12N2O2 — CID 1487337

IUPAC3-hydroxy-2-(4-methylphenyl)quinazolin-4-one
SMILESCc1ccc(-c2nc3ccccc3c(=O)n2O)cc1
InChIInChI=1S/C15H12N2O2/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17(14)19/h2-9,19H,1H3
InChIKeyOPFUJVVBZHYYPQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.61
Rot. Bonds1

About 3-hydroxy-2-(4-methylphenyl)quinazolin-4-one

3-hydroxy-2-(4-methylphenyl)quinazolin-4-one (PubChem CID 1487337) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-hydroxy-2-(4-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(4-methylphenyl)quinazolin-4-one
PubChem CID1487337
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name3-hydroxy-2-(4-methylphenyl)quinazolin-4-one
SMILESCc1ccc(-c2nc3ccccc3c(=O)n2O)cc1
InChIInChI=1S/C15H12N2O2/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17(14)19/h2-9,19H,1H3
InChIKeyOPFUJVVBZHYYPQ-UHFFFAOYSA-N
XLogP2.61
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(4-methylphenyl)quinazolin-4-one?
The IUPAC name of 3-hydroxy-2-(4-methylphenyl)quinazolin-4-one (CID 1487337) is 3-hydroxy-2-(4-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 3-hydroxy-2-(4-methylphenyl)quinazolin-4-one?
The canonical SMILES for 3-hydroxy-2-(4-methylphenyl)quinazolin-4-one is Cc1ccc(-c2nc3ccccc3c(=O)n2O)cc1.
What is the InChIKey of 3-hydroxy-2-(4-methylphenyl)quinazolin-4-one?
The InChIKey is OPFUJVVBZHYYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17(14)19/h2-9,19H,1H3.
What are the key properties of 3-hydroxy-2-(4-methylphenyl)quinazolin-4-one?
3-hydroxy-2-(4-methylphenyl)quinazolin-4-one has a molecular weight of 252.27 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 1487337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).