2-[2-[3-(3-imidazol-1-ylpropyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione

C24H21N5O3 — CID 1366509

IUPAC2-[2-[3-(3-imidazol-1-ylpropyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1nc2ccccc2c(=O)n1CCCn1ccnc1
InChIInChI=1S/C24H21N5O3/c30-22-17-6-1-2-7-18(17)23(31)29(22)14-10-21-26-20-9-4-3-8-19(20)24(32)28(21)13-5-12-27-15-11-25-16-27/h1-4,6-9,11,15-16H,5,10,12-14H2
InChIKeyHUESOPCDGXQNLR-UHFFFAOYSA-N
MW427.46 g/mol
LogP2.52
Rot. Bonds7

About 2-[2-[3-(3-imidazol-1-ylpropyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione

2-[2-[3-(3-imidazol-1-ylpropyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione (PubChem CID 1366509) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 2-[2-[3-(3-imidazol-1-ylpropyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[3-(3-imidazol-1-ylpropyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
PubChem CID1366509
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name2-[2-[3-(3-imidazol-1-ylpropyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1nc2ccccc2c(=O)n1CCCn1ccnc1
InChIInChI=1S/C24H21N5O3/c30-22-17-6-1-2-7-18(17)23(31)29(22)14-10-21-26-20-9-4-3-8-19(20)24(32)28(21)13-5-12-27-15-11-25-16-27/h1-4,6-9,11,15-16H,5,10,12-14H2
InChIKeyHUESOPCDGXQNLR-UHFFFAOYSA-N
XLogP2.52
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-[3-(3-imidazol-1-ylpropyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-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 2-[2-[3-(3-imidazol-1-ylpropyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[3-(3-imidazol-1-ylpropyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione (CID 1366509) is 2-[2-[3-(3-imidazol-1-ylpropyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[3-(3-imidazol-1-ylpropyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[3-(3-imidazol-1-ylpropyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCc1nc2ccccc2c(=O)n1CCCn1ccnc1.
What is the InChIKey of 2-[2-[3-(3-imidazol-1-ylpropyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione?
The InChIKey is HUESOPCDGXQNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c30-22-17-6-1-2-7-18(17)23(31)29(22)14-10-21-26-20-9-4-3-8-19(20)24(32)28(21)13-5-12-27-15-11-25-16-27/h1-4,6-9,11,15-16H,5,10,12-14H2.
What are the key properties of 2-[2-[3-(3-imidazol-1-ylpropyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione?
2-[2-[3-(3-imidazol-1-ylpropyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione has a molecular weight of 427.46 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(3-imidazol-1-ylpropyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 1366509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).