4-(4-methylphenyl)-1H-quinazolin-2-one

C15H12N2O — CID 712790

IUPAC4-(4-methylphenyl)-1H-quinazolin-2-one
SMILESCc1ccc(-c2nc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)16-15(18)17-14/h2-9H,1H3,(H,16,17,18)
InChIKeyLPCDEMFDWKLSBL-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.90
Rot. Bonds1

About 4-(4-methylphenyl)-1H-quinazolin-2-one

4-(4-methylphenyl)-1H-quinazolin-2-one (PubChem CID 712790) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-1H-quinazolin-2-one
PubChem CID712790
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name4-(4-methylphenyl)-1H-quinazolin-2-one
SMILESCc1ccc(-c2nc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)16-15(18)17-14/h2-9H,1H3,(H,16,17,18)
InChIKeyLPCDEMFDWKLSBL-UHFFFAOYSA-N
XLogP2.90
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1H-quinazolin-2-one?
The IUPAC name of 4-(4-methylphenyl)-1H-quinazolin-2-one (CID 712790) is 4-(4-methylphenyl)-1H-quinazolin-2-one.
What is the SMILES notation for 4-(4-methylphenyl)-1H-quinazolin-2-one?
The canonical SMILES for 4-(4-methylphenyl)-1H-quinazolin-2-one is Cc1ccc(-c2nc(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1H-quinazolin-2-one?
The InChIKey is LPCDEMFDWKLSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-12-4-2-3-5-13(12)16-15(18)17-14/h2-9H,1H3,(H,16,17,18).
What are the key properties of 4-(4-methylphenyl)-1H-quinazolin-2-one?
4-(4-methylphenyl)-1H-quinazolin-2-one has a molecular weight of 236.27 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1H-quinazolin-2-one is sourced from PubChem (CID 712790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).