6-bromo-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione

C16H15BrN2O2 — CID 14300264

IUPAC6-bromo-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione
SMILESCN(C)CCN1C(=O)c2cccc3c(Br)ccc(c23)C1=O
InChIInChI=1S/C16H15BrN2O2/c1-18(2)8-9-19-15(20)11-5-3-4-10-13(17)7-6-12(14(10)11)16(19)21/h3-7H,8-9H2,1-2H3
InChIKeyMODSUWWQETUFGJ-UHFFFAOYSA-N
MW347.21 g/mol
LogP2.76
Rot. Bonds3

About 6-bromo-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione

6-bromo-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione (PubChem CID 14300264) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 6-bromo-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-bromo-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione
PubChem CID14300264
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name6-bromo-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione
SMILESCN(C)CCN1C(=O)c2cccc3c(Br)ccc(c23)C1=O
InChIInChI=1S/C16H15BrN2O2/c1-18(2)8-9-19-15(20)11-5-3-4-10-13(17)7-6-12(14(10)11)16(19)21/h3-7H,8-9H2,1-2H3
InChIKeyMODSUWWQETUFGJ-UHFFFAOYSA-N
XLogP2.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-bromo-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione (CID 14300264) is 6-bromo-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-bromo-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-bromo-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione is CN(C)CCN1C(=O)c2cccc3c(Br)ccc(c23)C1=O.
What is the InChIKey of 6-bromo-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione?
The InChIKey is MODSUWWQETUFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-18(2)8-9-19-15(20)11-5-3-4-10-13(17)7-6-12(14(10)11)16(19)21/h3-7H,8-9H2,1-2H3.
What are the key properties of 6-bromo-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione?
6-bromo-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione has a molecular weight of 347.21 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 14300264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).