6,7-dichloro-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione

C16H14Cl2N2O2 — CID 5124048

IUPAC6,7-dichloro-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione
SMILESCN(C)CCN1C(=O)c2ccc(Cl)c3c(Cl)ccc(c23)C1=O
InChIInChI=1S/C16H14Cl2N2O2/c1-19(2)7-8-20-15(21)9-3-5-11(17)14-12(18)6-4-10(13(9)14)16(20)22/h3-6H,7-8H2,1-2H3
InChIKeyAXGKNGDSLDTMAL-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.30
Rot. Bonds3

About 6,7-dichloro-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione

6,7-dichloro-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione (PubChem CID 5124048) has the molecular formula C16H14Cl2N2O2 and a molecular weight of 337.21 g/mol. Its IUPAC name is 6,7-dichloro-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6,7-dichloro-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione
PubChem CID5124048
Molecular FormulaC16H14Cl2N2O2
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name6,7-dichloro-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione
SMILESCN(C)CCN1C(=O)c2ccc(Cl)c3c(Cl)ccc(c23)C1=O
InChIInChI=1S/C16H14Cl2N2O2/c1-19(2)7-8-20-15(21)9-3-5-11(17)14-12(18)6-4-10(13(9)14)16(20)22/h3-6H,7-8H2,1-2H3
InChIKeyAXGKNGDSLDTMAL-UHFFFAOYSA-N
XLogP3.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.30
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 6,7-dichloro-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6,7-dichloro-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione (CID 5124048) is 6,7-dichloro-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6,7-dichloro-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6,7-dichloro-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione is CN(C)CCN1C(=O)c2ccc(Cl)c3c(Cl)ccc(c23)C1=O.
What is the InChIKey of 6,7-dichloro-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione?
The InChIKey is AXGKNGDSLDTMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2/c1-19(2)7-8-20-15(21)9-3-5-11(17)14-12(18)6-4-10(13(9)14)16(20)22/h3-6H,7-8H2,1-2H3.
What are the key properties of 6,7-dichloro-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione?
6,7-dichloro-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione has a molecular weight of 337.21 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 5124048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).