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

Related Compounds

5-bromo-2-(1,6-dimethyl-2-oxo-3H-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
CID 130471692
4-bromo-2-(2-methylphenyl)isoindole-1,3-dione
CID 169336941
5-bromo-2-(2,2-dimethylpropyl)benzo[de]isoquinoline-1,3-dione
CID 57338929
4-(5-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)-2-carboxyphenolate
CID 54678235
5-bromo-2-[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]benzo[de]isoquinoline-1,3-dione
CID 1330826
2-(6-bromo-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
CID 130471765
5-amino-2-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
CID 130472058
5-bromo-2-[(E)-[2-(3,4-dimethylphenyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 135451335
5-bromo-2-[4-(morpholine-4-carbonyl)phenyl]benzo[de]isoquinoline-1,3-dione
CID 1107269
6-(2-methylphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 695615
6,13-dinaphthalen-1-yl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 101065257
2-(2,3,4,5,6-pentamethylphenyl)benzo[de]isoquinoline-1,3-dione
CID 132965970

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).