2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione

C13H10N2O2 — CID 706730

IUPAC2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccccc2c2c1C(=O)N(C)C2=O
InChIInChI=1S/C13H10N2O2/c1-7-10-11(13(17)15(2)12(10)16)8-5-3-4-6-9(8)14-7/h3-6H,1-2H3
InChIKeyZFGLUIRRXJEQSV-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.77
Rot. Bonds

About 2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione

2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 706730) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID706730
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Name2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccccc2c2c1C(=O)N(C)C2=O
InChIInChI=1S/C13H10N2O2/c1-7-10-11(13(17)15(2)12(10)16)8-5-3-4-6-9(8)14-7/h3-6H,1-2H3
InChIKeyZFGLUIRRXJEQSV-UHFFFAOYSA-N
XLogP1.77
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.77
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 2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione (CID 706730) is 2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione is Cc1nc2ccccc2c2c1C(=O)N(C)C2=O.
What is the InChIKey of 2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is ZFGLUIRRXJEQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-7-10-11(13(17)15(2)12(10)16)8-5-3-4-6-9(8)14-7/h3-6H,1-2H3.
What are the key properties of 2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione?
2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 226.23 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 706730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).