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

C14H12N2O2 — CID 891673

IUPAC2-ethyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCCN1C(=O)c2c(C)nc3ccccc3c2C1=O
InChIInChI=1S/C14H12N2O2/c1-3-16-13(17)11-8(2)15-10-7-5-4-6-9(10)12(11)14(16)18/h4-7H,3H2,1-2H3
InChIKeyIXTZPJVJZAEKEW-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.16
Rot. Bonds1

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

2-ethyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 891673) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-ethyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name2-ethyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID891673
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-ethyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCCN1C(=O)c2c(C)nc3ccccc3c2C1=O
InChIInChI=1S/C14H12N2O2/c1-3-16-13(17)11-8(2)15-10-7-5-4-6-9(10)12(11)14(16)18/h4-7H,3H2,1-2H3
InChIKeyIXTZPJVJZAEKEW-UHFFFAOYSA-N
XLogP2.16
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-ethyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 2-ethyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione (CID 891673) is 2-ethyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 2-ethyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 2-ethyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione is CCN1C(=O)c2c(C)nc3ccccc3c2C1=O.
What is the InChIKey of 2-ethyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is IXTZPJVJZAEKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-3-16-13(17)11-8(2)15-10-7-5-4-6-9(10)12(11)14(16)18/h4-7H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione?
2-ethyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 240.26 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methylpyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 891673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).