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

C23H17BrN2O — CID 3700273

IUPAC3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one
SMILESCc1ccccc1C=Cc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1
InChIInChI=1S/C23H17BrN2O/c1-16-6-2-3-7-17(16)10-15-22-25-21-9-5-4-8-20(21)23(27)26(22)19-13-11-18(24)12-14-19/h2-15H,1H3
InChIKeyBUBNDXVJVRNGQP-UHFFFAOYSA-N
MW417.31 g/mol
LogP5.63
Rot. Bonds3

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

3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one (PubChem CID 3700273) has the molecular formula C23H17BrN2O and a molecular weight of 417.31 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one
PubChem CID3700273
Molecular FormulaC23H17BrN2O
Molecular Weight417.31 g/mol
Exact Mass416.05
IUPAC Name3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one
SMILESCc1ccccc1C=Cc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1
InChIInChI=1S/C23H17BrN2O/c1-16-6-2-3-7-17(16)10-15-22-25-21-9-5-4-8-20(21)23(27)26(22)19-13-11-18(24)12-14-19/h2-15H,1H3
InChIKeyBUBNDXVJVRNGQP-UHFFFAOYSA-N
XLogP5.63
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.31
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]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-(4-bromophenyl)-2-(2-naphthalen-1-ylethenyl)quinazolin-4-one
CID 554530
3-(4-hydroxyphenyl)-2-[(Z)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one
CID 135984240
3-(4-chlorophenyl)-2-[(E)-2-(2-hydroxy-3-methylphenyl)ethenyl]quinazolin-4-one
CID 143457841
3-(4-bromophenyl)-2-[(Z)-2-pyridin-3-ylethenyl]quinazolin-4-one
CID 92919266
2-[2-(4-bromophenyl)ethenyl]-3-(4-nitrophenyl)quinazolin-4-one
CID 2829077
2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 3090604
3-(4-methylphenyl)-2-[2-(2-nitrophenyl)ethenyl]quinazolin-4-one
CID 2870120
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-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353
2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2862994
2-[(Z)-2-(3-bromophenyl)ethenyl]-3-(3,5-dimethylphenyl)quinazolin-4-one
CID 20966922

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one (CID 3700273) is 3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one is Cc1ccccc1C=Cc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one?
The InChIKey is BUBNDXVJVRNGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN2O/c1-16-6-2-3-7-17(16)10-15-22-25-21-9-5-4-8-20(21)23(27)26(22)19-13-11-18(24)12-14-19/h2-15H,1H3.
What are the key properties of 3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one?
3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one has a molecular weight of 417.31 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-[2-(2-methylphenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 3700273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).