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

C22H15BrN2O2 — CID 135419108

IUPAC3-(4-bromophenyl)-2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2ccccc2O)n1-c1ccc(Br)cc1
InChIInChI=1S/C22H15BrN2O2/c23-16-10-12-17(13-11-16)25-21(14-9-15-5-1-4-8-20(15)26)24-19-7-3-2-6-18(19)22(25)27/h1-14,26H/b14-9+
InChIKeySCHJBXNRNUAUDY-NTEUORMPSA-N
MW419.28 g/mol
LogP5.02
Rot. Bonds3

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

3-(4-bromophenyl)-2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one (PubChem CID 135419108) has the molecular formula C22H15BrN2O2 and a molecular weight of 419.28 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one
PubChem CID135419108
Molecular FormulaC22H15BrN2O2
Molecular Weight419.28 g/mol
Exact Mass418.03
IUPAC Name3-(4-bromophenyl)-2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one
SMILESO=c1c2ccccc2nc(/C=C/c2ccccc2O)n1-c1ccc(Br)cc1
InChIInChI=1S/C22H15BrN2O2/c23-16-10-12-17(13-11-16)25-21(14-9-15-5-1-4-8-20(15)26)24-19-7-3-2-6-18(19)22(25)27/h1-14,26H/b14-9+
InChIKeySCHJBXNRNUAUDY-NTEUORMPSA-N
XLogP5.02
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.28
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-bromophenyl)-2-[(E)-2-(2-hydroxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one?
The IUPAC name of 3-(4-bromophenyl)-2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one (CID 135419108) is 3-(4-bromophenyl)-2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one.
What is the SMILES notation for 3-(4-bromophenyl)-2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one?
The canonical SMILES for 3-(4-bromophenyl)-2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one is O=c1c2ccccc2nc(/C=C/c2ccccc2O)n1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one?
The InChIKey is SCHJBXNRNUAUDY-NTEUORMPSA-N. The full InChI is InChI=1S/C22H15BrN2O2/c23-16-10-12-17(13-11-16)25-21(14-9-15-5-1-4-8-20(15)26)24-19-7-3-2-6-18(19)22(25)27/h1-14,26H/b14-9+.
What are the key properties of 3-(4-bromophenyl)-2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one?
3-(4-bromophenyl)-2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one has a molecular weight of 419.28 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2-[(E)-2-(2-hydroxyphenyl)ethenyl]quinazolin-4-one is sourced from PubChem (CID 135419108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).