4-[(E)-2-[3-(3-aminophenyl)-4-oxoquinazolin-2-yl]ethenyl]benzonitrile

C23H16N4O — CID 78322437

IUPAC4-[(E)-2-[3-(3-aminophenyl)-4-oxoquinazolin-2-yl]ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(N)c2)cc1
InChIInChI=1S/C23H16N4O/c24-15-17-10-8-16(9-11-17)12-13-22-26-21-7-2-1-6-20(21)23(28)27(22)19-5-3-4-18(25)14-19/h1-14H,25H2/b13-12+
InChIKeyMWPPFZHBWCCUTF-OUKQBFOZSA-N
MW364.41 g/mol
LogP4.01
Rot. Bonds3

About 4-[(E)-2-[3-(3-aminophenyl)-4-oxoquinazolin-2-yl]ethenyl]benzonitrile

4-[(E)-2-[3-(3-aminophenyl)-4-oxoquinazolin-2-yl]ethenyl]benzonitrile (PubChem CID 78322437) has the molecular formula C23H16N4O and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[(E)-2-[3-(3-aminophenyl)-4-oxoquinazolin-2-yl]ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-2-[3-(3-aminophenyl)-4-oxoquinazolin-2-yl]ethenyl]benzonitrile
PubChem CID78322437
Molecular FormulaC23H16N4O
Molecular Weight364.41 g/mol
Exact Mass364.13
IUPAC Name4-[(E)-2-[3-(3-aminophenyl)-4-oxoquinazolin-2-yl]ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(N)c2)cc1
InChIInChI=1S/C23H16N4O/c24-15-17-10-8-16(9-11-17)12-13-22-26-21-7-2-1-6-20(21)23(28)27(22)19-5-3-4-18(25)14-19/h1-14H,25H2/b13-12+
InChIKeyMWPPFZHBWCCUTF-OUKQBFOZSA-N
XLogP4.01
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[(E)-2-[3-(3-aminophenyl)-4-oxoquinazolin-2-yl]ethenyl]benzonitrile 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 4-[(E)-2-[3-(3-aminophenyl)-4-oxoquinazolin-2-yl]ethenyl]benzonitrile?
The IUPAC name of 4-[(E)-2-[3-(3-aminophenyl)-4-oxoquinazolin-2-yl]ethenyl]benzonitrile (CID 78322437) is 4-[(E)-2-[3-(3-aminophenyl)-4-oxoquinazolin-2-yl]ethenyl]benzonitrile.
What is the SMILES notation for 4-[(E)-2-[3-(3-aminophenyl)-4-oxoquinazolin-2-yl]ethenyl]benzonitrile?
The canonical SMILES for 4-[(E)-2-[3-(3-aminophenyl)-4-oxoquinazolin-2-yl]ethenyl]benzonitrile is N#Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(N)c2)cc1.
What is the InChIKey of 4-[(E)-2-[3-(3-aminophenyl)-4-oxoquinazolin-2-yl]ethenyl]benzonitrile?
The InChIKey is MWPPFZHBWCCUTF-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H16N4O/c24-15-17-10-8-16(9-11-17)12-13-22-26-21-7-2-1-6-20(21)23(28)27(22)19-5-3-4-18(25)14-19/h1-14H,25H2/b13-12+.
What are the key properties of 4-[(E)-2-[3-(3-aminophenyl)-4-oxoquinazolin-2-yl]ethenyl]benzonitrile?
4-[(E)-2-[3-(3-aminophenyl)-4-oxoquinazolin-2-yl]ethenyl]benzonitrile has a molecular weight of 364.41 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3-(3-aminophenyl)-4-oxoquinazolin-2-yl]ethenyl]benzonitrile is sourced from PubChem (CID 78322437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).