3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide

C24H19N3O2 — CID 118858186

IUPAC3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide
SMILESCc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C24H19N3O2/c1-16-9-11-17(12-10-16)13-14-22-26-21-8-3-2-7-20(21)24(29)27(22)19-6-4-5-18(15-19)23(25)28/h2-15H,1H3,(H2,25,28)/b14-13+
InChIKeyMQCRADVYTNXEJV-BUHFOSPRSA-N
MW381.44 g/mol
LogP3.96
Rot. Bonds4

About 3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide

3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide (PubChem CID 118858186) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide.

Molecular Properties

Compound Name3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide
PubChem CID118858186
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide
SMILESCc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C24H19N3O2/c1-16-9-11-17(12-10-16)13-14-22-26-21-8-3-2-7-20(21)24(29)27(22)19-6-4-5-18(15-19)23(25)28/h2-15H,1H3,(H2,25,28)/b14-13+
InChIKeyMQCRADVYTNXEJV-BUHFOSPRSA-N
XLogP3.96
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide 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-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide?
The IUPAC name of 3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide (CID 118858186) is 3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide.
What is the SMILES notation for 3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide?
The canonical SMILES for 3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide is Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide?
The InChIKey is MQCRADVYTNXEJV-BUHFOSPRSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-16-9-11-17(12-10-16)13-14-22-26-21-8-3-2-7-20(21)24(29)27(22)19-6-4-5-18(15-19)23(25)28/h2-15H,1H3,(H2,25,28)/b14-13+.
What are the key properties of 3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide?
3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide has a molecular weight of 381.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(E)-2-(4-methylphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzamide is sourced from PubChem (CID 118858186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).