2-(2-hydroxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one

C21H18N2O2 — CID 2888227

IUPAC2-(2-hydroxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(N2C(=O)c3ccccc3NC2c2ccccc2O)cc1
InChIInChI=1S/C21H18N2O2/c1-14-10-12-15(13-11-14)23-20(17-7-3-5-9-19(17)24)22-18-8-4-2-6-16(18)21(23)25/h2-13,20,22,24H,1H3
InChIKeyBALQQOSBLXPMAJ-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.47
Rot. Bonds2

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

2-(2-hydroxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 2888227) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID2888227
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name2-(2-hydroxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(N2C(=O)c3ccccc3NC2c2ccccc2O)cc1
InChIInChI=1S/C21H18N2O2/c1-14-10-12-15(13-11-14)23-20(17-7-3-5-9-19(17)24)22-18-8-4-2-6-16(18)21(23)25/h2-13,20,22,24H,1H3
InChIKeyBALQQOSBLXPMAJ-UHFFFAOYSA-N
XLogP4.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(2-hydroxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one (CID 2888227) is 2-(2-hydroxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one is Cc1ccc(N2C(=O)c3ccccc3NC2c2ccccc2O)cc1.
What is the InChIKey of 2-(2-hydroxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is BALQQOSBLXPMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-14-10-12-15(13-11-14)23-20(17-7-3-5-9-19(17)24)22-18-8-4-2-6-16(18)21(23)25/h2-13,20,22,24H,1H3.
What are the key properties of 2-(2-hydroxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
2-(2-hydroxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 330.39 g/mol, XLogP of 4.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2888227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).