4-methylpyrrolo[3,4-c]quinoline-1,3-dione

C12H8N2O2 — CID 611339

IUPAC4-methylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccccc2c2c1C(=O)NC2=O
InChIInChI=1S/C12H8N2O2/c1-6-9-10(12(16)14-11(9)15)7-4-2-3-5-8(7)13-6/h2-5H,1H3,(H,14,15,16)
InChIKeyRDOYVWRCQYHNHO-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.43
Rot. Bonds

About 4-methylpyrrolo[3,4-c]quinoline-1,3-dione

4-methylpyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 611339) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-methylpyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name4-methylpyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID611339
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name4-methylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccccc2c2c1C(=O)NC2=O
InChIInChI=1S/C12H8N2O2/c1-6-9-10(12(16)14-11(9)15)7-4-2-3-5-8(7)13-6/h2-5H,1H3,(H,14,15,16)
InChIKeyRDOYVWRCQYHNHO-UHFFFAOYSA-N
XLogP1.43
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
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 4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 4-methylpyrrolo[3,4-c]quinoline-1,3-dione (CID 611339) is 4-methylpyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 4-methylpyrrolo[3,4-c]quinoline-1,3-dione is Cc1nc2ccccc2c2c1C(=O)NC2=O.
What is the InChIKey of 4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is RDOYVWRCQYHNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c1-6-9-10(12(16)14-11(9)15)7-4-2-3-5-8(7)13-6/h2-5H,1H3,(H,14,15,16).
What are the key properties of 4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
4-methylpyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 212.21 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 611339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).