3-(1H-indol-3-yl)-4-(2-piperazin-1-ylquinazolin-4-yl)pyrrole-2,5-dione

C24H20N6O2 — CID 11851810

IUPAC3-(1H-indol-3-yl)-4-(2-piperazin-1-ylquinazolin-4-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12
InChIInChI=1S/C24H20N6O2/c31-22-19(16-13-26-17-7-3-1-5-14(16)17)20(23(32)29-22)21-15-6-2-4-8-18(15)27-24(28-21)30-11-9-25-10-12-30/h1-8,13,25-26H,9-12H2,(H,29,31,32)
InChIKeyWAKGEHXTOOFEAE-UHFFFAOYSA-N
MW424.46 g/mol
LogP2.09
Rot. Bonds3

About 3-(1H-indol-3-yl)-4-(2-piperazin-1-ylquinazolin-4-yl)pyrrole-2,5-dione

3-(1H-indol-3-yl)-4-(2-piperazin-1-ylquinazolin-4-yl)pyrrole-2,5-dione (PubChem CID 11851810) has the molecular formula C24H20N6O2 and a molecular weight of 424.46 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-4-(2-piperazin-1-ylquinazolin-4-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-4-(2-piperazin-1-ylquinazolin-4-yl)pyrrole-2,5-dione
PubChem CID11851810
Molecular FormulaC24H20N6O2
Molecular Weight424.46 g/mol
Exact Mass424.16
IUPAC Name3-(1H-indol-3-yl)-4-(2-piperazin-1-ylquinazolin-4-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12
InChIInChI=1S/C24H20N6O2/c31-22-19(16-13-26-17-7-3-1-5-14(16)17)20(23(32)29-22)21-15-6-2-4-8-18(15)27-24(28-21)30-11-9-25-10-12-30/h1-8,13,25-26H,9-12H2,(H,29,31,32)
InChIKeyWAKGEHXTOOFEAE-UHFFFAOYSA-N
XLogP2.09
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(1H-indol-3-yl)-4-(2-piperazin-1-ylquinazolin-4-yl)pyrrole-2,5-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 3-(1H-indol-3-yl)-4-(2-piperazin-1-ylquinazolin-4-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1H-indol-3-yl)-4-(2-piperazin-1-ylquinazolin-4-yl)pyrrole-2,5-dione (CID 11851810) is 3-(1H-indol-3-yl)-4-(2-piperazin-1-ylquinazolin-4-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1H-indol-3-yl)-4-(2-piperazin-1-ylquinazolin-4-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1H-indol-3-yl)-4-(2-piperazin-1-ylquinazolin-4-yl)pyrrole-2,5-dione is O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1c1nc(N2CCNCC2)nc2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-4-(2-piperazin-1-ylquinazolin-4-yl)pyrrole-2,5-dione?
The InChIKey is WAKGEHXTOOFEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2/c31-22-19(16-13-26-17-7-3-1-5-14(16)17)20(23(32)29-22)21-15-6-2-4-8-18(15)27-24(28-21)30-11-9-25-10-12-30/h1-8,13,25-26H,9-12H2,(H,29,31,32).
What are the key properties of 3-(1H-indol-3-yl)-4-(2-piperazin-1-ylquinazolin-4-yl)pyrrole-2,5-dione?
3-(1H-indol-3-yl)-4-(2-piperazin-1-ylquinazolin-4-yl)pyrrole-2,5-dione has a molecular weight of 424.46 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-4-(2-piperazin-1-ylquinazolin-4-yl)pyrrole-2,5-dione is sourced from PubChem (CID 11851810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).