2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(3,5-dimethylphenyl)quinazolin-4-one

C24H19BrN2O — CID 20966922

IUPAC2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(3,5-dimethylphenyl)quinazolin-4-one
SMILESCc1cc(C)cc(-n2c(/C=C\c3cccc(Br)c3)nc3ccccc3c2=O)c1
InChIInChI=1S/C24H19BrN2O/c1-16-12-17(2)14-20(13-16)27-23(11-10-18-6-5-7-19(25)15-18)26-22-9-4-3-8-21(22)24(27)28/h3-15H,1-2H3/b11-10-
InChIKeyUXOZKKHXPIQACU-KHPPLWFESA-N
MW431.33 g/mol
LogP5.94
Rot. Bonds3

About 2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(3,5-dimethylphenyl)quinazolin-4-one

2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(3,5-dimethylphenyl)quinazolin-4-one (PubChem CID 20966922) has the molecular formula C24H19BrN2O and a molecular weight of 431.33 g/mol. Its IUPAC name is 2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(3,5-dimethylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(3,5-dimethylphenyl)quinazolin-4-one
PubChem CID20966922
Molecular FormulaC24H19BrN2O
Molecular Weight431.33 g/mol
Exact Mass430.07
IUPAC Name2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(3,5-dimethylphenyl)quinazolin-4-one
SMILESCc1cc(C)cc(-n2c(/C=C\c3cccc(Br)c3)nc3ccccc3c2=O)c1
InChIInChI=1S/C24H19BrN2O/c1-16-12-17(2)14-20(13-16)27-23(11-10-18-6-5-7-19(25)15-18)26-22-9-4-3-8-21(22)24(27)28/h3-15H,1-2H3/b11-10-
InChIKeyUXOZKKHXPIQACU-KHPPLWFESA-N
XLogP5.94
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.33
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(3,5-dimethylphenyl)quinazolin-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

Related Compounds

3-(3,5-dimethylphenyl)-2-[(Z)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one
CID 20966874
2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 92912522
3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one
CID 2928566
2-[2-(3-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 67228667
3-(3,5-dimethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
CID 136507453
2-[2-(3,4-dihydroxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 2880218
3-(4-bromo-3-methylphenyl)-2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one
CID 20966809
3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one
CID 3700273
3-(4-bromophenyl)-6-iodo-2-[(E)-2-(3-methylphenyl)ethenyl]quinazolin-4-one
CID 6184102
2-[(E)-2-(3-bromophenyl)ethenyl]-6-iodo-3-(3-methoxyphenyl)quinazolin-4-one
CID 6238237
3-(4-bromophenyl)-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-one
CID 92919266
3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide
CID 118858186

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(3,5-dimethylphenyl)quinazolin-4-one?
The IUPAC name of 2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(3,5-dimethylphenyl)quinazolin-4-one (CID 20966922) is 2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(3,5-dimethylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(3,5-dimethylphenyl)quinazolin-4-one?
The canonical SMILES for 2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(3,5-dimethylphenyl)quinazolin-4-one is Cc1cc(C)cc(-n2c(/C=C\c3cccc(Br)c3)nc3ccccc3c2=O)c1.
What is the InChIKey of 2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(3,5-dimethylphenyl)quinazolin-4-one?
The InChIKey is UXOZKKHXPIQACU-KHPPLWFESA-N. The full InChI is InChI=1S/C24H19BrN2O/c1-16-12-17(2)14-20(13-16)27-23(11-10-18-6-5-7-19(25)15-18)26-22-9-4-3-8-21(22)24(27)28/h3-15H,1-2H3/b11-10-.
What are the key properties of 2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(3,5-dimethylphenyl)quinazolin-4-one?
2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(3,5-dimethylphenyl)quinazolin-4-one has a molecular weight of 431.33 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(3,5-dimethylphenyl)quinazolin-4-one is sourced from PubChem (CID 20966922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).