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

C15H14N2O4 — CID 23829003

IUPAC5-ethyl-7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione
SMILESCCc1nc2c(c3cc(OC)c(OC)cc13)C(=O)NC2=O
InChIInChI=1S/C15H14N2O4/c1-4-9-7-5-10(20-2)11(21-3)6-8(7)12-13(16-9)15(19)17-14(12)18/h5-6H,4H2,1-3H3,(H,17,18,19)
InChIKeyULVWJFBHQIXEPE-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.70
Rot. Bonds3

About 5-ethyl-7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione

5-ethyl-7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione (PubChem CID 23829003) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-ethyl-7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione.

Molecular Properties

Compound Name5-ethyl-7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione
PubChem CID23829003
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name5-ethyl-7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione
SMILESCCc1nc2c(c3cc(OC)c(OC)cc13)C(=O)NC2=O
InChIInChI=1S/C15H14N2O4/c1-4-9-7-5-10(20-2)11(21-3)6-8(7)12-13(16-9)15(19)17-14(12)18/h5-6H,4H2,1-3H3,(H,17,18,19)
InChIKeyULVWJFBHQIXEPE-UHFFFAOYSA-N
XLogP1.70
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione?
The IUPAC name of 5-ethyl-7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione (CID 23829003) is 5-ethyl-7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione.
What is the SMILES notation for 5-ethyl-7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione?
The canonical SMILES for 5-ethyl-7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione is CCc1nc2c(c3cc(OC)c(OC)cc13)C(=O)NC2=O.
What is the InChIKey of 5-ethyl-7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione?
The InChIKey is ULVWJFBHQIXEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-4-9-7-5-10(20-2)11(21-3)6-8(7)12-13(16-9)15(19)17-14(12)18/h5-6H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 5-ethyl-7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione?
5-ethyl-7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione has a molecular weight of 286.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7,8-dimethoxypyrrolo[3,4-c]isoquinoline-1,3-dione is sourced from PubChem (CID 23829003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).