3-quinolin-8-ylpyrrole-2,5-dione

C13H8N2O2 — CID 106694986

IUPAC3-quinolin-8-ylpyrrole-2,5-dione
SMILESO=C1C=C(c2cccc3cccnc23)C(=O)N1
InChIInChI=1S/C13H8N2O2/c16-11-7-10(13(17)15-11)9-5-1-3-8-4-2-6-14-12(8)9/h1-7H,(H,15,16,17)
InChIKeyUMBKVCNSBJEUQK-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.27
Rot. Bonds1

About 3-quinolin-8-ylpyrrole-2,5-dione

3-quinolin-8-ylpyrrole-2,5-dione (PubChem CID 106694986) has the molecular formula C13H8N2O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-quinolin-8-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-quinolin-8-ylpyrrole-2,5-dione
PubChem CID106694986
Molecular FormulaC13H8N2O2
Molecular Weight224.22 g/mol
Exact Mass224.06
IUPAC Name3-quinolin-8-ylpyrrole-2,5-dione
SMILESO=C1C=C(c2cccc3cccnc23)C(=O)N1
InChIInChI=1S/C13H8N2O2/c16-11-7-10(13(17)15-11)9-5-1-3-8-4-2-6-14-12(8)9/h1-7H,(H,15,16,17)
InChIKeyUMBKVCNSBJEUQK-UHFFFAOYSA-N
XLogP1.27
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dichlorophenyl)pyrrole-2,5-dione
CID 22352874
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
3-[2-[[2-(2,5-dioxopyrrol-3-yl)phenyl]disulfanyl]phenyl]pyrrole-2,5-dione
CID 54120330
bis(1,10-phenanthroline);ruthenium
CID 15001085
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
europium;1,10-phenanthroline
CID 20606755
CID 58385596
CID 58385596
8-pyridin-2-ylquinoline
CID 10982041
6-methyl-4-quinolin-8-yl-1H-pyrimidin-2-one
CID 106519681

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-8-ylpyrrole-2,5-dione?
The IUPAC name of 3-quinolin-8-ylpyrrole-2,5-dione (CID 106694986) is 3-quinolin-8-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-quinolin-8-ylpyrrole-2,5-dione?
The canonical SMILES for 3-quinolin-8-ylpyrrole-2,5-dione is O=C1C=C(c2cccc3cccnc23)C(=O)N1.
What is the InChIKey of 3-quinolin-8-ylpyrrole-2,5-dione?
The InChIKey is UMBKVCNSBJEUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O2/c16-11-7-10(13(17)15-11)9-5-1-3-8-4-2-6-14-12(8)9/h1-7H,(H,15,16,17).
What are the key properties of 3-quinolin-8-ylpyrrole-2,5-dione?
3-quinolin-8-ylpyrrole-2,5-dione has a molecular weight of 224.22 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-8-ylpyrrole-2,5-dione is sourced from PubChem (CID 106694986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).