5-bromo-2-(2-methylphenyl)benzo[de]isoquinoline-1,3-dione

C19H12BrNO2 — CID 1301025

IUPAC5-bromo-2-(2-methylphenyl)benzo[de]isoquinoline-1,3-dione
SMILESCc1ccccc1N1C(=O)c2cccc3cc(Br)cc(c23)C1=O
InChIInChI=1S/C19H12BrNO2/c1-11-5-2-3-8-16(11)21-18(22)14-7-4-6-12-9-13(20)10-15(17(12)14)19(21)23/h2-10H,1H3
InChIKeyGZIOBEYRYZKLFC-UHFFFAOYSA-N
MW366.21 g/mol
LogP4.71
Rot. Bonds1

About 5-bromo-2-(2-methylphenyl)benzo[de]isoquinoline-1,3-dione

5-bromo-2-(2-methylphenyl)benzo[de]isoquinoline-1,3-dione (PubChem CID 1301025) has the molecular formula C19H12BrNO2 and a molecular weight of 366.21 g/mol. Its IUPAC name is 5-bromo-2-(2-methylphenyl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name5-bromo-2-(2-methylphenyl)benzo[de]isoquinoline-1,3-dione
PubChem CID1301025
Molecular FormulaC19H12BrNO2
Molecular Weight366.21 g/mol
Exact Mass365.01
IUPAC Name5-bromo-2-(2-methylphenyl)benzo[de]isoquinoline-1,3-dione
SMILESCc1ccccc1N1C(=O)c2cccc3cc(Br)cc(c23)C1=O
InChIInChI=1S/C19H12BrNO2/c1-11-5-2-3-8-16(11)21-18(22)14-7-4-6-12-9-13(20)10-15(17(12)14)19(21)23/h2-10H,1H3
InChIKeyGZIOBEYRYZKLFC-UHFFFAOYSA-N
XLogP4.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-2-(2-methylphenyl)benzo[de]isoquinoline-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 5-bromo-2-(2-methylphenyl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 5-bromo-2-(2-methylphenyl)benzo[de]isoquinoline-1,3-dione (CID 1301025) is 5-bromo-2-(2-methylphenyl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 5-bromo-2-(2-methylphenyl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 5-bromo-2-(2-methylphenyl)benzo[de]isoquinoline-1,3-dione is Cc1ccccc1N1C(=O)c2cccc3cc(Br)cc(c23)C1=O.
What is the InChIKey of 5-bromo-2-(2-methylphenyl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is GZIOBEYRYZKLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrNO2/c1-11-5-2-3-8-16(11)21-18(22)14-7-4-6-12-9-13(20)10-15(17(12)14)19(21)23/h2-10H,1H3.
What are the key properties of 5-bromo-2-(2-methylphenyl)benzo[de]isoquinoline-1,3-dione?
5-bromo-2-(2-methylphenyl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 366.21 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylphenyl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 1301025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).