7,8-dichloro-5H-pyrrolo[3,4-c]quinoline-1,3,4-trione

C11H4Cl2N2O3 — CID 21473919

IUPAC7,8-dichloro-5H-pyrrolo[3,4-c]quinoline-1,3,4-trione
SMILESO=C1NC(=O)c2c1c(=O)[nH]c1cc(Cl)c(Cl)cc21
InChIInChI=1S/C11H4Cl2N2O3/c12-4-1-3-6(2-5(4)13)14-10(17)8-7(3)9(16)15-11(8)18/h1-2H,(H,14,17)(H,15,16,18)
InChIKeyKWMIWLILAZCROM-UHFFFAOYSA-N
MW283.07 g/mol
LogP1.72
Rot. Bonds

About 7,8-dichloro-5H-pyrrolo[3,4-c]quinoline-1,3,4-trione

7,8-dichloro-5H-pyrrolo[3,4-c]quinoline-1,3,4-trione (PubChem CID 21473919) has the molecular formula C11H4Cl2N2O3 and a molecular weight of 283.07 g/mol. Its IUPAC name is 7,8-dichloro-5H-pyrrolo[3,4-c]quinoline-1,3,4-trione.

Molecular Properties

Compound Name7,8-dichloro-5H-pyrrolo[3,4-c]quinoline-1,3,4-trione
PubChem CID21473919
Molecular FormulaC11H4Cl2N2O3
Molecular Weight283.07 g/mol
Exact Mass281.96
IUPAC Name7,8-dichloro-5H-pyrrolo[3,4-c]quinoline-1,3,4-trione
SMILESO=C1NC(=O)c2c1c(=O)[nH]c1cc(Cl)c(Cl)cc21
InChIInChI=1S/C11H4Cl2N2O3/c12-4-1-3-6(2-5(4)13)14-10(17)8-7(3)9(16)15-11(8)18/h1-2H,(H,14,17)(H,15,16,18)
InChIKeyKWMIWLILAZCROM-UHFFFAOYSA-N
XLogP1.72
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.07
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-dichloro-5H-pyrrolo[3,4-c]quinoline-1,3,4-trione?
The IUPAC name of 7,8-dichloro-5H-pyrrolo[3,4-c]quinoline-1,3,4-trione (CID 21473919) is 7,8-dichloro-5H-pyrrolo[3,4-c]quinoline-1,3,4-trione.
What is the SMILES notation for 7,8-dichloro-5H-pyrrolo[3,4-c]quinoline-1,3,4-trione?
The canonical SMILES for 7,8-dichloro-5H-pyrrolo[3,4-c]quinoline-1,3,4-trione is O=C1NC(=O)c2c1c(=O)[nH]c1cc(Cl)c(Cl)cc21.
What is the InChIKey of 7,8-dichloro-5H-pyrrolo[3,4-c]quinoline-1,3,4-trione?
The InChIKey is KWMIWLILAZCROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl2N2O3/c12-4-1-3-6(2-5(4)13)14-10(17)8-7(3)9(16)15-11(8)18/h1-2H,(H,14,17)(H,15,16,18).
What are the key properties of 7,8-dichloro-5H-pyrrolo[3,4-c]quinoline-1,3,4-trione?
7,8-dichloro-5H-pyrrolo[3,4-c]quinoline-1,3,4-trione has a molecular weight of 283.07 g/mol, XLogP of 1.72, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-5H-pyrrolo[3,4-c]quinoline-1,3,4-trione is sourced from PubChem (CID 21473919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).