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

C15H12N2O — CID 135452109

IUPAC2-(4-methylphenyl)-3H-quinazolin-4-one
SMILESCc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
InChIKeyUTEHUKGJDLVHIH-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.90
Rot. Bonds1

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

2-(4-methylphenyl)-3H-quinazolin-4-one (PubChem CID 135452109) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-3H-quinazolin-4-one
PubChem CID135452109
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name2-(4-methylphenyl)-3H-quinazolin-4-one
SMILESCc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
InChIKeyUTEHUKGJDLVHIH-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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Related Compounds

Methaqualone
CID 6292
4(1H)-Quinazolinone
CID 135408753
Afloqualone
CID 2040
2-Methyl-4(3H)-quinazolinone
CID 135400457
3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
CID 63382
2-Amino-3,4-dihydroquinazolin-4-one
CID 135403814
4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, hydrochloride (1:1)
CID 63196
3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
CID 23914
2-Phenyl-4(3H)-Quinazolinone
CID 135400456
ME0328
CID 135566764
3-phenyl-3H-quinazolin-4-one
CID 785275
3-(4-Oxo-3,4-dihydro-quinazolin-2-yl)-propionic acid
CID 135449434

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-methylphenyl)-3H-quinazolin-4-one (CID 135452109) is 2-(4-methylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-methylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-methylphenyl)-3H-quinazolin-4-one is Cc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3H-quinazolin-4-one?
The InChIKey is UTEHUKGJDLVHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-10-6-8-11(9-7-10)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18).
What are the key properties of 2-(4-methylphenyl)-3H-quinazolin-4-one?
2-(4-methylphenyl)-3H-quinazolin-4-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 2-(4-methylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135452109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).