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

C15H12N2O2 — CID 135566973

IUPAC8-hydroxy-2-(4-methylphenyl)-3H-quinazolin-4-one
SMILESCc1ccc(-c2nc3c(O)cccc3c(=O)[nH]2)cc1
InChIInChI=1S/C15H12N2O2/c1-9-5-7-10(8-6-9)14-16-13-11(15(19)17-14)3-2-4-12(13)18/h2-8,18H,1H3,(H,16,17,19)
InChIKeyMCCQXQRJNJXHRG-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.60
Rot. Bonds1

About 8-hydroxy-2-(4-methylphenyl)-3H-quinazolin-4-one

8-hydroxy-2-(4-methylphenyl)-3H-quinazolin-4-one (PubChem CID 135566973) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 8-hydroxy-2-(4-methylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-hydroxy-2-(4-methylphenyl)-3H-quinazolin-4-one
PubChem CID135566973
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name8-hydroxy-2-(4-methylphenyl)-3H-quinazolin-4-one
SMILESCc1ccc(-c2nc3c(O)cccc3c(=O)[nH]2)cc1
InChIInChI=1S/C15H12N2O2/c1-9-5-7-10(8-6-9)14-16-13-11(15(19)17-14)3-2-4-12(13)18/h2-8,18H,1H3,(H,16,17,19)
InChIKeyMCCQXQRJNJXHRG-UHFFFAOYSA-N
XLogP2.60
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-(4-methylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 8-hydroxy-2-(4-methylphenyl)-3H-quinazolin-4-one (CID 135566973) is 8-hydroxy-2-(4-methylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 8-hydroxy-2-(4-methylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 8-hydroxy-2-(4-methylphenyl)-3H-quinazolin-4-one is Cc1ccc(-c2nc3c(O)cccc3c(=O)[nH]2)cc1.
What is the InChIKey of 8-hydroxy-2-(4-methylphenyl)-3H-quinazolin-4-one?
The InChIKey is MCCQXQRJNJXHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-9-5-7-10(8-6-9)14-16-13-11(15(19)17-14)3-2-4-12(13)18/h2-8,18H,1H3,(H,16,17,19).
What are the key properties of 8-hydroxy-2-(4-methylphenyl)-3H-quinazolin-4-one?
8-hydroxy-2-(4-methylphenyl)-3H-quinazolin-4-one has a molecular weight of 252.27 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-(4-methylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135566973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).