8-bromo-2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione

C13H9BrN2O2 — CID 23460501

IUPAC8-bromo-2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccc(Br)cc2c2c1C(=O)N(C)C2=O
InChIInChI=1S/C13H9BrN2O2/c1-6-10-11(13(18)16(2)12(10)17)8-5-7(14)3-4-9(8)15-6/h3-5H,1-2H3
InChIKeyUHUOFNBFKRLJDR-UHFFFAOYSA-N
MW305.13 g/mol
LogP2.53
Rot. Bonds

About 8-bromo-2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione

8-bromo-2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione (PubChem CID 23460501) has the molecular formula C13H9BrN2O2 and a molecular weight of 305.13 g/mol. Its IUPAC name is 8-bromo-2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione.

Molecular Properties

Compound Name8-bromo-2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione
PubChem CID23460501
Molecular FormulaC13H9BrN2O2
Molecular Weight305.13 g/mol
Exact Mass303.98
IUPAC Name8-bromo-2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione
SMILESCc1nc2ccc(Br)cc2c2c1C(=O)N(C)C2=O
InChIInChI=1S/C13H9BrN2O2/c1-6-10-11(13(18)16(2)12(10)17)8-5-7(14)3-4-9(8)15-6/h3-5H,1-2H3
InChIKeyUHUOFNBFKRLJDR-UHFFFAOYSA-N
XLogP2.53
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 52.53
H-Bond Donors ≤ 50
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 8-bromo-2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione?
The IUPAC name of 8-bromo-2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione (CID 23460501) is 8-bromo-2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione.
What is the SMILES notation for 8-bromo-2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione?
The canonical SMILES for 8-bromo-2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione is Cc1nc2ccc(Br)cc2c2c1C(=O)N(C)C2=O.
What is the InChIKey of 8-bromo-2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione?
The InChIKey is UHUOFNBFKRLJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2/c1-6-10-11(13(18)16(2)12(10)17)8-5-7(14)3-4-9(8)15-6/h3-5H,1-2H3.
What are the key properties of 8-bromo-2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione?
8-bromo-2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione has a molecular weight of 305.13 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,4-dimethylpyrrolo[3,4-c]quinoline-1,3-dione is sourced from PubChem (CID 23460501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).