2-(quinolin-6-ylmethyl)isoindole-1,3-dione

C18H12N2O2 — CID 23079294

IUPAC2-(quinolin-6-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc2ncccc2c1
InChIInChI=1S/C18H12N2O2/c21-17-14-5-1-2-6-15(14)18(22)20(17)11-12-7-8-16-13(10-12)4-3-9-19-16/h1-10H,11H2
InChIKeyNRIGLLCJLQQTGB-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.03
Rot. Bonds2

About 2-(quinolin-6-ylmethyl)isoindole-1,3-dione

2-(quinolin-6-ylmethyl)isoindole-1,3-dione (PubChem CID 23079294) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-(quinolin-6-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(quinolin-6-ylmethyl)isoindole-1,3-dione
PubChem CID23079294
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name2-(quinolin-6-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc2ncccc2c1
InChIInChI=1S/C18H12N2O2/c21-17-14-5-1-2-6-15(14)18(22)20(17)11-12-7-8-16-13(10-12)4-3-9-19-16/h1-10H,11H2
InChIKeyNRIGLLCJLQQTGB-UHFFFAOYSA-N
XLogP3.03
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(quinolin-6-ylmethyl)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-(quinolin-6-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 2-(quinolin-6-ylmethyl)isoindole-1,3-dione (CID 23079294) is 2-(quinolin-6-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(quinolin-6-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(quinolin-6-ylmethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1ccc2ncccc2c1.
What is the InChIKey of 2-(quinolin-6-ylmethyl)isoindole-1,3-dione?
The InChIKey is NRIGLLCJLQQTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-17-14-5-1-2-6-15(14)18(22)20(17)11-12-7-8-16-13(10-12)4-3-9-19-16/h1-10H,11H2.
What are the key properties of 2-(quinolin-6-ylmethyl)isoindole-1,3-dione?
2-(quinolin-6-ylmethyl)isoindole-1,3-dione has a molecular weight of 288.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-6-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 23079294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).