6a-(2-chlorophenyl)-6H-isoindolo[2,1-a]quinazoline-5,11-dione

C21H13ClN2O2 — CID 134124391

IUPAC6a-(2-chlorophenyl)-6H-isoindolo[2,1-a]quinazoline-5,11-dione
SMILESO=C1NC2(c3ccccc3Cl)c3ccccc3C(=O)N2c2ccccc21
InChIInChI=1S/C21H13ClN2O2/c22-17-11-5-4-10-16(17)21-15-9-3-1-7-13(15)20(26)24(21)18-12-6-2-8-14(18)19(25)23-21/h1-12H,(H,23,25)
InChIKeySZDXTZMXFFCXCA-UHFFFAOYSA-N
MW360.80 g/mol
LogP3.94
Rot. Bonds1

About 6a-(2-chlorophenyl)-6H-isoindolo[2,1-a]quinazoline-5,11-dione

6a-(2-chlorophenyl)-6H-isoindolo[2,1-a]quinazoline-5,11-dione (PubChem CID 134124391) has the molecular formula C21H13ClN2O2 and a molecular weight of 360.80 g/mol. Its IUPAC name is 6a-(2-chlorophenyl)-6H-isoindolo[2,1-a]quinazoline-5,11-dione.

Molecular Properties

Compound Name6a-(2-chlorophenyl)-6H-isoindolo[2,1-a]quinazoline-5,11-dione
PubChem CID134124391
Molecular FormulaC21H13ClN2O2
Molecular Weight360.80 g/mol
Exact Mass360.07
IUPAC Name6a-(2-chlorophenyl)-6H-isoindolo[2,1-a]quinazoline-5,11-dione
SMILESO=C1NC2(c3ccccc3Cl)c3ccccc3C(=O)N2c2ccccc21
InChIInChI=1S/C21H13ClN2O2/c22-17-11-5-4-10-16(17)21-15-9-3-1-7-13(15)20(26)24(21)18-12-6-2-8-14(18)19(25)23-21/h1-12H,(H,23,25)
InChIKeySZDXTZMXFFCXCA-UHFFFAOYSA-N
XLogP3.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6a-(2-chlorophenyl)-6H-isoindolo[2,1-a]quinazoline-5,11-dione 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 6a-(2-chlorophenyl)-6H-isoindolo[2,1-a]quinazoline-5,11-dione?
The IUPAC name of 6a-(2-chlorophenyl)-6H-isoindolo[2,1-a]quinazoline-5,11-dione (CID 134124391) is 6a-(2-chlorophenyl)-6H-isoindolo[2,1-a]quinazoline-5,11-dione.
What is the SMILES notation for 6a-(2-chlorophenyl)-6H-isoindolo[2,1-a]quinazoline-5,11-dione?
The canonical SMILES for 6a-(2-chlorophenyl)-6H-isoindolo[2,1-a]quinazoline-5,11-dione is O=C1NC2(c3ccccc3Cl)c3ccccc3C(=O)N2c2ccccc21.
What is the InChIKey of 6a-(2-chlorophenyl)-6H-isoindolo[2,1-a]quinazoline-5,11-dione?
The InChIKey is SZDXTZMXFFCXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClN2O2/c22-17-11-5-4-10-16(17)21-15-9-3-1-7-13(15)20(26)24(21)18-12-6-2-8-14(18)19(25)23-21/h1-12H,(H,23,25).
What are the key properties of 6a-(2-chlorophenyl)-6H-isoindolo[2,1-a]quinazoline-5,11-dione?
6a-(2-chlorophenyl)-6H-isoindolo[2,1-a]quinazoline-5,11-dione has a molecular weight of 360.80 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-(2-chlorophenyl)-6H-isoindolo[2,1-a]quinazoline-5,11-dione is sourced from PubChem (CID 134124391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).