2-(dimethylamino)-4H-isoquinoline-1,3-dione

C11H12N2O2 — CID 13362905

IUPAC2-(dimethylamino)-4H-isoquinoline-1,3-dione
SMILESCN(C)N1C(=O)Cc2ccccc2C1=O
InChIInChI=1S/C11H12N2O2/c1-12(2)13-10(14)7-8-5-3-4-6-9(8)11(13)15/h3-6H,7H2,1-2H3
InChIKeySNBKJQFFBZJSPM-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.69
Rot. Bonds1

About 2-(dimethylamino)-4H-isoquinoline-1,3-dione

2-(dimethylamino)-4H-isoquinoline-1,3-dione (PubChem CID 13362905) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(dimethylamino)-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(dimethylamino)-4H-isoquinoline-1,3-dione
PubChem CID13362905
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(dimethylamino)-4H-isoquinoline-1,3-dione
SMILESCN(C)N1C(=O)Cc2ccccc2C1=O
InChIInChI=1S/C11H12N2O2/c1-12(2)13-10(14)7-8-5-3-4-6-9(8)11(13)15/h3-6H,7H2,1-2H3
InChIKeySNBKJQFFBZJSPM-UHFFFAOYSA-N
XLogP0.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.69
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 2-(dimethylamino)-4H-isoquinoline-1,3-dione?
The IUPAC name of 2-(dimethylamino)-4H-isoquinoline-1,3-dione (CID 13362905) is 2-(dimethylamino)-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 2-(dimethylamino)-4H-isoquinoline-1,3-dione?
The canonical SMILES for 2-(dimethylamino)-4H-isoquinoline-1,3-dione is CN(C)N1C(=O)Cc2ccccc2C1=O.
What is the InChIKey of 2-(dimethylamino)-4H-isoquinoline-1,3-dione?
The InChIKey is SNBKJQFFBZJSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-12(2)13-10(14)7-8-5-3-4-6-9(8)11(13)15/h3-6H,7H2,1-2H3.
What are the key properties of 2-(dimethylamino)-4H-isoquinoline-1,3-dione?
2-(dimethylamino)-4H-isoquinoline-1,3-dione has a molecular weight of 204.23 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 13362905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).