1-(4-methylphenyl)quinazolin-4-one

C15H12N2O — CID 13402150

IUPAC1-(4-methylphenyl)quinazolin-4-one
SMILESCc1ccc(-n2cnc(=O)c3ccccc32)cc1
InChIInChI=1S/C15H12N2O/c1-11-6-8-12(9-7-11)17-10-16-15(18)13-4-2-3-5-14(13)17/h2-10H,1H3
InChIKeyLVKWBSPZFIZKGG-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.69
Rot. Bonds1

About 1-(4-methylphenyl)quinazolin-4-one

1-(4-methylphenyl)quinazolin-4-one (PubChem CID 13402150) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(4-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name1-(4-methylphenyl)quinazolin-4-one
PubChem CID13402150
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1-(4-methylphenyl)quinazolin-4-one
SMILESCc1ccc(-n2cnc(=O)c3ccccc32)cc1
InChIInChI=1S/C15H12N2O/c1-11-6-8-12(9-7-11)17-10-16-15(18)13-4-2-3-5-14(13)17/h2-10H,1H3
InChIKeyLVKWBSPZFIZKGG-UHFFFAOYSA-N
XLogP2.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)quinazolin-4-one?
The IUPAC name of 1-(4-methylphenyl)quinazolin-4-one (CID 13402150) is 1-(4-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 1-(4-methylphenyl)quinazolin-4-one?
The canonical SMILES for 1-(4-methylphenyl)quinazolin-4-one is Cc1ccc(-n2cnc(=O)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)quinazolin-4-one?
The InChIKey is LVKWBSPZFIZKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-11-6-8-12(9-7-11)17-10-16-15(18)13-4-2-3-5-14(13)17/h2-10H,1H3.
What are the key properties of 1-(4-methylphenyl)quinazolin-4-one?
1-(4-methylphenyl)quinazolin-4-one has a molecular weight of 236.27 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 13402150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).