3-(3,5-dimethylphenyl)-2-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one

C24H24N2O — CID 23736105

IUPAC3-(3,5-dimethylphenyl)-2-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCc1ccc(C2Nc3ccccc3C(=O)N2c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C24H24N2O/c1-4-18-9-11-19(12-10-18)23-25-22-8-6-5-7-21(22)24(27)26(23)20-14-16(2)13-17(3)15-20/h5-15,23,25H,4H2,1-3H3
InChIKeyXYBIKGYKHMCRTC-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.64
Rot. Bonds3

About 3-(3,5-dimethylphenyl)-2-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one

3-(3,5-dimethylphenyl)-2-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 23736105) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-2-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-2-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID23736105
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name3-(3,5-dimethylphenyl)-2-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCc1ccc(C2Nc3ccccc3C(=O)N2c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C24H24N2O/c1-4-18-9-11-19(12-10-18)23-25-22-8-6-5-7-21(22)24(27)26(23)20-14-16(2)13-17(3)15-20/h5-15,23,25H,4H2,1-3H3
InChIKeyXYBIKGYKHMCRTC-UHFFFAOYSA-N
XLogP5.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-2-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(3,5-dimethylphenyl)-2-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one (CID 23736105) is 3-(3,5-dimethylphenyl)-2-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-2-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(3,5-dimethylphenyl)-2-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one is CCc1ccc(C2Nc3ccccc3C(=O)N2c2cc(C)cc(C)c2)cc1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-2-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is XYBIKGYKHMCRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-4-18-9-11-19(12-10-18)23-25-22-8-6-5-7-21(22)24(27)26(23)20-14-16(2)13-17(3)15-20/h5-15,23,25H,4H2,1-3H3.
What are the key properties of 3-(3,5-dimethylphenyl)-2-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one?
3-(3,5-dimethylphenyl)-2-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 356.47 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-2-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 23736105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).