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

C23H22N2O2 — CID 2853469

IUPAC3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCOc1ccc(N2C(=O)c3ccccc3NC2c2ccc(C)cc2)cc1
InChIInChI=1S/C23H22N2O2/c1-3-27-19-14-12-18(13-15-19)25-22(17-10-8-16(2)9-11-17)24-21-7-5-4-6-20(21)23(25)26/h4-15,22,24H,3H2,1-2H3
InChIKeyQRXBPZUWWLGXLP-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.16
Rot. Bonds4

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

3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 2853469) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID2853469
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCOc1ccc(N2C(=O)c3ccccc3NC2c2ccc(C)cc2)cc1
InChIInChI=1S/C23H22N2O2/c1-3-27-19-14-12-18(13-15-19)25-22(17-10-8-16(2)9-11-17)24-21-7-5-4-6-20(21)23(25)26/h4-15,22,24H,3H2,1-2H3
InChIKeyQRXBPZUWWLGXLP-UHFFFAOYSA-N
XLogP5.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-ethoxyphenyl)-2-(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 3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one (CID 2853469) is 3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one is CCOc1ccc(N2C(=O)c3ccccc3NC2c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is QRXBPZUWWLGXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-3-27-19-14-12-18(13-15-19)25-22(17-10-8-16(2)9-11-17)24-21-7-5-4-6-20(21)23(25)26/h4-15,22,24H,3H2,1-2H3.
What are the key properties of 3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one?
3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 358.44 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2853469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).