3-methyl-6-(4-methylphenyl)-1,4-dihydroquinazolin-2-one

C16H16N2O — CID 138535555

IUPAC3-methyl-6-(4-methylphenyl)-1,4-dihydroquinazolin-2-one
SMILESCc1ccc(-c2ccc3c(c2)CN(C)C(=O)N3)cc1
InChIInChI=1S/C16H16N2O/c1-11-3-5-12(6-4-11)13-7-8-15-14(9-13)10-18(2)16(19)17-15/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeySBDJAWUSLOCTPS-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.64
Rot. Bonds1

About 3-methyl-6-(4-methylphenyl)-1,4-dihydroquinazolin-2-one

3-methyl-6-(4-methylphenyl)-1,4-dihydroquinazolin-2-one (PubChem CID 138535555) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-methyl-6-(4-methylphenyl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-methyl-6-(4-methylphenyl)-1,4-dihydroquinazolin-2-one
PubChem CID138535555
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-methyl-6-(4-methylphenyl)-1,4-dihydroquinazolin-2-one
SMILESCc1ccc(-c2ccc3c(c2)CN(C)C(=O)N3)cc1
InChIInChI=1S/C16H16N2O/c1-11-3-5-12(6-4-11)13-7-8-15-14(9-13)10-18(2)16(19)17-15/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeySBDJAWUSLOCTPS-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-6-(4-methylphenyl)-1,4-dihydroquinazolin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-methylphenyl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-methyl-6-(4-methylphenyl)-1,4-dihydroquinazolin-2-one (CID 138535555) is 3-methyl-6-(4-methylphenyl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-methyl-6-(4-methylphenyl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-methyl-6-(4-methylphenyl)-1,4-dihydroquinazolin-2-one is Cc1ccc(-c2ccc3c(c2)CN(C)C(=O)N3)cc1.
What is the InChIKey of 3-methyl-6-(4-methylphenyl)-1,4-dihydroquinazolin-2-one?
The InChIKey is SBDJAWUSLOCTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-3-5-12(6-4-11)13-7-8-15-14(9-13)10-18(2)16(19)17-15/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of 3-methyl-6-(4-methylphenyl)-1,4-dihydroquinazolin-2-one?
3-methyl-6-(4-methylphenyl)-1,4-dihydroquinazolin-2-one has a molecular weight of 252.32 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-methylphenyl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 138535555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).