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

C23H22N2O — CID 4052597

IUPAC3-(4-methylphenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(N2C(=O)c3ccccc3NC2C(C)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O/c1-16-12-14-19(15-13-16)25-22(17(2)18-8-4-3-5-9-18)24-21-11-7-6-10-20(21)23(25)26/h3-15,17,22,24H,1-2H3
InChIKeyQZAOSZVJAXUJFE-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.20
Rot. Bonds3

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

3-(4-methylphenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 4052597) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one
PubChem CID4052597
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name3-(4-methylphenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(N2C(=O)c3ccccc3NC2C(C)c2ccccc2)cc1
InChIInChI=1S/C23H22N2O/c1-16-12-14-19(15-13-16)25-22(17(2)18-8-4-3-5-9-18)24-21-11-7-6-10-20(21)23(25)26/h3-15,17,22,24H,1-2H3
InChIKeyQZAOSZVJAXUJFE-UHFFFAOYSA-N
XLogP5.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(4-methylphenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one (CID 4052597) is 3-(4-methylphenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(4-methylphenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(4-methylphenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one is Cc1ccc(N2C(=O)c3ccccc3NC2C(C)c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is QZAOSZVJAXUJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-16-12-14-19(15-13-16)25-22(17(2)18-8-4-3-5-9-18)24-21-11-7-6-10-20(21)23(25)26/h3-15,17,22,24H,1-2H3.
What are the key properties of 3-(4-methylphenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one?
3-(4-methylphenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 342.44 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 4052597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).