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

C12H9N3O4 — CID 135008558

IUPAC7,8-dimethoxypyrrolo[3,4-c]cinnoline-1,3-dione
SMILESCOc1cc2nnc3c(c2cc1OC)C(=O)NC3=O
InChIInChI=1S/C12H9N3O4/c1-18-7-3-5-6(4-8(7)19-2)14-15-10-9(5)11(16)13-12(10)17/h3-4H,1-2H3,(H,13,16,17)
InChIKeyZBUOZWBLNDYLDG-UHFFFAOYSA-N
MW259.22 g/mol
LogP0.53
Rot. Bonds2

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

7,8-dimethoxypyrrolo[3,4-c]cinnoline-1,3-dione (PubChem CID 135008558) has the molecular formula C12H9N3O4 and a molecular weight of 259.22 g/mol. Its IUPAC name is 7,8-dimethoxypyrrolo[3,4-c]cinnoline-1,3-dione.

Molecular Properties

Compound Name7,8-dimethoxypyrrolo[3,4-c]cinnoline-1,3-dione
PubChem CID135008558
Molecular FormulaC12H9N3O4
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC Name7,8-dimethoxypyrrolo[3,4-c]cinnoline-1,3-dione
SMILESCOc1cc2nnc3c(c2cc1OC)C(=O)NC3=O
InChIInChI=1S/C12H9N3O4/c1-18-7-3-5-6(4-8(7)19-2)14-15-10-9(5)11(16)13-12(10)17/h3-4H,1-2H3,(H,13,16,17)
InChIKeyZBUOZWBLNDYLDG-UHFFFAOYSA-N
XLogP0.53
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxypyrrolo[3,4-c]cinnoline-1,3-dione?
The IUPAC name of 7,8-dimethoxypyrrolo[3,4-c]cinnoline-1,3-dione (CID 135008558) is 7,8-dimethoxypyrrolo[3,4-c]cinnoline-1,3-dione.
What is the SMILES notation for 7,8-dimethoxypyrrolo[3,4-c]cinnoline-1,3-dione?
The canonical SMILES for 7,8-dimethoxypyrrolo[3,4-c]cinnoline-1,3-dione is COc1cc2nnc3c(c2cc1OC)C(=O)NC3=O.
What is the InChIKey of 7,8-dimethoxypyrrolo[3,4-c]cinnoline-1,3-dione?
The InChIKey is ZBUOZWBLNDYLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4/c1-18-7-3-5-6(4-8(7)19-2)14-15-10-9(5)11(16)13-12(10)17/h3-4H,1-2H3,(H,13,16,17).
What are the key properties of 7,8-dimethoxypyrrolo[3,4-c]cinnoline-1,3-dione?
7,8-dimethoxypyrrolo[3,4-c]cinnoline-1,3-dione has a molecular weight of 259.22 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxypyrrolo[3,4-c]cinnoline-1,3-dione is sourced from PubChem (CID 135008558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).