4-methyl-2-pyridin-3-ylpyrrolo[3,4-c]quinoline-1,3-dione

C17H11N3O2 — CID 22422576

IUPAC4-methyl-2-pyridin-3-ylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccccc2c2c1C(=O)N(c1cccnc1)C2=O
InChIInChI=1S/C17H11N3O2/c1-10-14-15(12-6-2-3-7-13(12)19-10)17(22)20(16(14)21)11-5-4-8-18-9-11/h2-9H,1H3
InChIKeyJKJYFONUZMBDNX-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.74
Rot. Bonds1

About 4-methyl-2-pyridin-3-ylpyrrolo[3,4-c]quinoline-1,3-dione

4-methyl-2-pyridin-3-ylpyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 22422576) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-methyl-2-pyridin-3-ylpyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name4-methyl-2-pyridin-3-ylpyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID22422576
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name4-methyl-2-pyridin-3-ylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccccc2c2c1C(=O)N(c1cccnc1)C2=O
InChIInChI=1S/C17H11N3O2/c1-10-14-15(12-6-2-3-7-13(12)19-10)17(22)20(16(14)21)11-5-4-8-18-9-11/h2-9H,1H3
InChIKeyJKJYFONUZMBDNX-UHFFFAOYSA-N
XLogP2.74
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-2-pyridin-3-ylpyrrolo[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 4-methyl-2-pyridin-3-ylpyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 4-methyl-2-pyridin-3-ylpyrrolo[3,4-c]quinoline-1,3-dione (CID 22422576) is 4-methyl-2-pyridin-3-ylpyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 4-methyl-2-pyridin-3-ylpyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 4-methyl-2-pyridin-3-ylpyrrolo[3,4-c]quinoline-1,3-dione is Cc1nc2ccccc2c2c1C(=O)N(c1cccnc1)C2=O.
What is the InChIKey of 4-methyl-2-pyridin-3-ylpyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is JKJYFONUZMBDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2/c1-10-14-15(12-6-2-3-7-13(12)19-10)17(22)20(16(14)21)11-5-4-8-18-9-11/h2-9H,1H3.
What are the key properties of 4-methyl-2-pyridin-3-ylpyrrolo[3,4-c]quinoline-1,3-dione?
4-methyl-2-pyridin-3-ylpyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 289.29 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-3-ylpyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 22422576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).