2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one

C24H20N2O — CID 2957556

IUPAC2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one
SMILESCCc1ccc(C=Cc2nc3ccccc3c(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C24H20N2O/c1-2-18-12-14-19(15-13-18)16-17-23-25-22-11-7-6-10-21(22)24(27)26(23)20-8-4-3-5-9-20/h3-17H,2H2,1H3
InChIKeyUZBUSDUPKGQKNR-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.12
Rot. Bonds4

About 2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one

2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one (PubChem CID 2957556) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one
PubChem CID2957556
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one
SMILESCCc1ccc(C=Cc2nc3ccccc3c(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C24H20N2O/c1-2-18-12-14-19(15-13-18)16-17-23-25-22-11-7-6-10-21(22)24(27)26(23)20-8-4-3-5-9-20/h3-17H,2H2,1H3
InChIKeyUZBUSDUPKGQKNR-UHFFFAOYSA-N
XLogP5.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
2-[(Z)-2-(4-fluorophenyl)ethenyl]-3-(4-hydroxyphenyl)quinazolin-4-one
CID 92955316
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 5379493
3-(3-ethylphenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one;2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 137106077
3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one
CID 2928566
4-[2-[(Z)-2-(4-hydroxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid
CID 135419107
3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride
CID 165362442
2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 67228667
3-phenyl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one
CID 7822082
2-[2-(4-hydroxyphenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one
CID 3776041
2-[2-(3,4-dihydroxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 2880218
2-ethyl-3-phenylquinazolin-4-one
CID 719985

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one (CID 2957556) is 2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one is CCc1ccc(C=Cc2nc3ccccc3c(=O)n2-c2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one?
The InChIKey is UZBUSDUPKGQKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-2-18-12-14-19(15-13-18)16-17-23-25-22-11-7-6-10-21(22)24(27)26(23)20-8-4-3-5-9-20/h3-17H,2H2,1H3.
What are the key properties of 2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one?
2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one has a molecular weight of 352.44 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 2957556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).