7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione

C13H10N2O4 — CID 15314616

IUPAC7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione
SMILESCOc1cc2cnc3c(c2cc1OC)C(=O)NC3=O
InChIInChI=1S/C13H10N2O4/c1-18-8-3-6-5-14-11-10(12(16)15-13(11)17)7(6)4-9(8)19-2/h3-5H,1-2H3,(H,15,16,17)
InChIKeyKTRGYJLQTZDGPX-UHFFFAOYSA-N
MW258.23 g/mol
LogP1.14
Rot. Bonds2

About 7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione

7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione (PubChem CID 15314616) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione.

Molecular Properties

Compound Name7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione
PubChem CID15314616
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione
SMILESCOc1cc2cnc3c(c2cc1OC)C(=O)NC3=O
InChIInChI=1S/C13H10N2O4/c1-18-8-3-6-5-14-11-10(12(16)15-13(11)17)7(6)4-9(8)19-2/h3-5H,1-2H3,(H,15,16,17)
InChIKeyKTRGYJLQTZDGPX-UHFFFAOYSA-N
XLogP1.14
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7,8-dimethoxypyrrolo[3,4-c]isoquinoline-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 7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione?
The IUPAC name of 7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione (CID 15314616) is 7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione.
What is the SMILES notation for 7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione?
The canonical SMILES for 7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione is COc1cc2cnc3c(c2cc1OC)C(=O)NC3=O.
What is the InChIKey of 7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione?
The InChIKey is KTRGYJLQTZDGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c1-18-8-3-6-5-14-11-10(12(16)15-13(11)17)7(6)4-9(8)19-2/h3-5H,1-2H3,(H,15,16,17).
What are the key properties of 7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione?
7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione has a molecular weight of 258.23 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione is sourced from PubChem (CID 15314616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).