3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one

C24H20N2O — CID 2928566

IUPAC3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one
SMILESCc1ccc(C=Cc2nc3ccccc3c(=O)n2-c2cccc(C)c2)cc1
InChIInChI=1S/C24H20N2O/c1-17-10-12-19(13-11-17)14-15-23-25-22-9-4-3-8-21(22)24(27)26(23)20-7-5-6-18(2)16-20/h3-16H,1-2H3
InChIKeySNCHYRMWAPJWIU-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.17
Rot. Bonds3

About 3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one

3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one (PubChem CID 2928566) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one
PubChem CID2928566
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one
SMILESCc1ccc(C=Cc2nc3ccccc3c(=O)n2-c2cccc(C)c2)cc1
InChIInChI=1S/C24H20N2O/c1-17-10-12-19(13-11-17)14-15-23-25-22-9-4-3-8-21(22)24(27)26(23)20-7-5-6-18(2)16-20/h3-16H,1-2H3
InChIKeySNCHYRMWAPJWIU-UHFFFAOYSA-N
XLogP5.17
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide
CID 118858186
2-[(E)-2-(2-fluorophenyl)ethenyl]-3-(3-methylphenyl)quinazolin-4-one;bis(3-(3-hydroxyphenyl)-2-[(E)-2-(3-methylphenyl)ethenyl]quinazolin-4-one);tris(3-(3-hydroxyphenyl)-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-one)
CID 162152881
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 5379493
2-[2-(3,4-dihydroxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 2880218
2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-3-(3-methylphenyl)quinazolin-4-one
CID 20966987
3-(2,4-dimethylphenyl)-2-[2-(4-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 3756781
2-[2-(1-benzyl-2-methylindol-3-yl)ethenyl]-3-(3-methylphenyl)quinazolin-4-one
CID 4274749
6-iodo-3-(3-methylphenyl)-2-[2-(3-methylphenyl)ethenyl]quinazolin-4-one
CID 3837973
2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(3,5-dimethylphenyl)quinazolin-4-one
CID 20966922
2-[2-(4-hydroxyphenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one
CID 3776041
3-(3-aminophenyl)-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-one
CID 78322132
2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 67228667

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one (CID 2928566) is 3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one is Cc1ccc(C=Cc2nc3ccccc3c(=O)n2-c2cccc(C)c2)cc1.
What is the InChIKey of 3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one?
The InChIKey is SNCHYRMWAPJWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-17-10-12-19(13-11-17)14-15-23-25-22-9-4-3-8-21(22)24(27)26(23)20-7-5-6-18(2)16-20/h3-16H,1-2H3.
What are the key properties of 3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one?
3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one has a molecular weight of 352.44 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 2928566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).