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

C16H14N2O — CID 135566969

IUPAC8-methyl-2-(4-methylphenyl)-3H-quinazolin-4-one
SMILESCc1ccc(-c2nc3c(C)cccc3c(=O)[nH]2)cc1
InChIInChI=1S/C16H14N2O/c1-10-6-8-12(9-7-10)15-17-14-11(2)4-3-5-13(14)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)
InChIKeyVKQCBCMAFAIWOE-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.21
Rot. Bonds1

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

8-methyl-2-(4-methylphenyl)-3H-quinazolin-4-one (PubChem CID 135566969) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 8-methyl-2-(4-methylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-2-(4-methylphenyl)-3H-quinazolin-4-one
PubChem CID135566969
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name8-methyl-2-(4-methylphenyl)-3H-quinazolin-4-one
SMILESCc1ccc(-c2nc3c(C)cccc3c(=O)[nH]2)cc1
InChIInChI=1S/C16H14N2O/c1-10-6-8-12(9-7-10)15-17-14-11(2)4-3-5-13(14)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)
InChIKeyVKQCBCMAFAIWOE-UHFFFAOYSA-N
XLogP3.21
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-methyl-2-(4-methylphenyl)-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methaqualone
CID 6292
2-Methyl-4(3H)-quinazolinone
CID 135400457
3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
CID 63382
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-Amino-2-phenyl-4(3H)-quinazolinone
CID 722876
3-Amino-2-(p-tolyl)quinazolin-4(3H)-one
CID 854350
Glycosminine
CID 135426527
2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone
CID 135460986
2-(4-Aminophenyl)-3,4-Dihydroquinazolin-4-One
CID 135416131

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(4-methylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 8-methyl-2-(4-methylphenyl)-3H-quinazolin-4-one (CID 135566969) is 8-methyl-2-(4-methylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 8-methyl-2-(4-methylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 8-methyl-2-(4-methylphenyl)-3H-quinazolin-4-one is Cc1ccc(-c2nc3c(C)cccc3c(=O)[nH]2)cc1.
What is the InChIKey of 8-methyl-2-(4-methylphenyl)-3H-quinazolin-4-one?
The InChIKey is VKQCBCMAFAIWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-10-6-8-12(9-7-10)15-17-14-11(2)4-3-5-13(14)16(19)18-15/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 8-methyl-2-(4-methylphenyl)-3H-quinazolin-4-one?
8-methyl-2-(4-methylphenyl)-3H-quinazolin-4-one has a molecular weight of 250.30 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(4-methylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135566969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).