6-(dimethylamino)-2-(2,5-dimethylphenyl)benzo[de]isoquinoline-1,3-dione

C22H20N2O2 — CID 805605

IUPAC6-(dimethylamino)-2-(2,5-dimethylphenyl)benzo[de]isoquinoline-1,3-dione
SMILESCc1ccc(C)c(N2C(=O)c3cccc4c(N(C)C)ccc(c34)C2=O)c1
InChIInChI=1S/C22H20N2O2/c1-13-8-9-14(2)19(12-13)24-21(25)16-7-5-6-15-18(23(3)4)11-10-17(20(15)16)22(24)26/h5-12H,1-4H3
InChIKeyJCDPBWOISZLLCZ-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.32
Rot. Bonds2

About 6-(dimethylamino)-2-(2,5-dimethylphenyl)benzo[de]isoquinoline-1,3-dione

6-(dimethylamino)-2-(2,5-dimethylphenyl)benzo[de]isoquinoline-1,3-dione (PubChem CID 805605) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 6-(dimethylamino)-2-(2,5-dimethylphenyl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-(dimethylamino)-2-(2,5-dimethylphenyl)benzo[de]isoquinoline-1,3-dione
PubChem CID805605
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name6-(dimethylamino)-2-(2,5-dimethylphenyl)benzo[de]isoquinoline-1,3-dione
SMILESCc1ccc(C)c(N2C(=O)c3cccc4c(N(C)C)ccc(c34)C2=O)c1
InChIInChI=1S/C22H20N2O2/c1-13-8-9-14(2)19(12-13)24-21(25)16-7-5-6-15-18(23(3)4)11-10-17(20(15)16)22(24)26/h5-12H,1-4H3
InChIKeyJCDPBWOISZLLCZ-UHFFFAOYSA-N
XLogP4.32
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.32
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-(dimethylamino)-2-(2,5-dimethylphenyl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-(dimethylamino)-2-(2,5-dimethylphenyl)benzo[de]isoquinoline-1,3-dione (CID 805605) is 6-(dimethylamino)-2-(2,5-dimethylphenyl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-(dimethylamino)-2-(2,5-dimethylphenyl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-(dimethylamino)-2-(2,5-dimethylphenyl)benzo[de]isoquinoline-1,3-dione is Cc1ccc(C)c(N2C(=O)c3cccc4c(N(C)C)ccc(c34)C2=O)c1.
What is the InChIKey of 6-(dimethylamino)-2-(2,5-dimethylphenyl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is JCDPBWOISZLLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-13-8-9-14(2)19(12-13)24-21(25)16-7-5-6-15-18(23(3)4)11-10-17(20(15)16)22(24)26/h5-12H,1-4H3.
What are the key properties of 6-(dimethylamino)-2-(2,5-dimethylphenyl)benzo[de]isoquinoline-1,3-dione?
6-(dimethylamino)-2-(2,5-dimethylphenyl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 344.41 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-(2,5-dimethylphenyl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 805605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).