3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide

C21H13Cl2N3O2 — CID 23909571

IUPAC3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide
SMILESO=C(Nn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O)c1cccc(Cl)c1
InChIInChI=1S/C21H13Cl2N3O2/c22-15-10-8-13(9-11-15)19-24-18-7-2-1-6-17(18)21(28)26(19)25-20(27)14-4-3-5-16(23)12-14/h1-12H,(H,25,27)
InChIKeyXTIRJXHOUASNIC-UHFFFAOYSA-N
MW410.26 g/mol
LogP4.75
Rot. Bonds3

About 3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide

3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide (PubChem CID 23909571) has the molecular formula C21H13Cl2N3O2 and a molecular weight of 410.26 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide
PubChem CID23909571
Molecular FormulaC21H13Cl2N3O2
Molecular Weight410.26 g/mol
Exact Mass409.04
IUPAC Name3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide
SMILESO=C(Nn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O)c1cccc(Cl)c1
InChIInChI=1S/C21H13Cl2N3O2/c22-15-10-8-13(9-11-15)19-24-18-7-2-1-6-17(18)21(28)26(19)25-20(27)14-4-3-5-16(23)12-14/h1-12H,(H,25,27)
InChIKeyXTIRJXHOUASNIC-UHFFFAOYSA-N
XLogP4.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[2-(4-chlorophenyl)-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-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide (CID 23909571) is 3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide is O=C(Nn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide?
The InChIKey is XTIRJXHOUASNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2N3O2/c22-15-10-8-13(9-11-15)19-24-18-7-2-1-6-17(18)21(28)26(19)25-20(27)14-4-3-5-16(23)12-14/h1-12H,(H,25,27).
What are the key properties of 3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide?
3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide has a molecular weight of 410.26 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide is sourced from PubChem (CID 23909571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).