2-[2-(3,4-dihydroisoquinolin-1-yl)ethyl]isoindole-1,3-dione

C19H16N2O2 — CID 593800

IUPAC2-[2-(3,4-dihydroisoquinolin-1-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCC1=NCCc2ccccc21
InChIInChI=1S/C19H16N2O2/c22-18-15-7-3-4-8-16(15)19(23)21(18)12-10-17-14-6-2-1-5-13(14)9-11-20-17/h1-8H,9-12H2
InChIKeyUFXJZIRGGNAHNF-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.72
Rot. Bonds3

About 2-[2-(3,4-dihydroisoquinolin-1-yl)ethyl]isoindole-1,3-dione

2-[2-(3,4-dihydroisoquinolin-1-yl)ethyl]isoindole-1,3-dione (PubChem CID 593800) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[2-(3,4-dihydroisoquinolin-1-yl)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(3,4-dihydroisoquinolin-1-yl)ethyl]isoindole-1,3-dione
PubChem CID593800
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name2-[2-(3,4-dihydroisoquinolin-1-yl)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCC1=NCCc2ccccc21
InChIInChI=1S/C19H16N2O2/c22-18-15-7-3-4-8-16(15)19(23)21(18)12-10-17-14-6-2-1-5-13(14)9-11-20-17/h1-8H,9-12H2
InChIKeyUFXJZIRGGNAHNF-UHFFFAOYSA-N
XLogP2.72
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(3,4-dihydroisoquinolin-1-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-(3,4-dihydroisoquinolin-1-yl)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(3,4-dihydroisoquinolin-1-yl)ethyl]isoindole-1,3-dione (CID 593800) is 2-[2-(3,4-dihydroisoquinolin-1-yl)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(3,4-dihydroisoquinolin-1-yl)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(3,4-dihydroisoquinolin-1-yl)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCC1=NCCc2ccccc21.
What is the InChIKey of 2-[2-(3,4-dihydroisoquinolin-1-yl)ethyl]isoindole-1,3-dione?
The InChIKey is UFXJZIRGGNAHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-18-15-7-3-4-8-16(15)19(23)21(18)12-10-17-14-6-2-1-5-13(14)9-11-20-17/h1-8H,9-12H2.
What are the key properties of 2-[2-(3,4-dihydroisoquinolin-1-yl)ethyl]isoindole-1,3-dione?
2-[2-(3,4-dihydroisoquinolin-1-yl)ethyl]isoindole-1,3-dione has a molecular weight of 304.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydroisoquinolin-1-yl)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 593800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).