3-(quinolin-8-ylamino)pyrrolidine-2,5-dione

C13H11N3O2 — CID 43637754

IUPAC3-(quinolin-8-ylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2cccc3cccnc23)C(=O)N1
InChIInChI=1S/C13H11N3O2/c17-11-7-10(13(18)16-11)15-9-5-1-3-8-4-2-6-14-12(8)9/h1-6,10,15H,7H2,(H,16,17,18)
InChIKeyJOFSUTBRNCZGBL-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.06
Rot. Bonds2

About 3-(quinolin-8-ylamino)pyrrolidine-2,5-dione

3-(quinolin-8-ylamino)pyrrolidine-2,5-dione (PubChem CID 43637754) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(quinolin-8-ylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(quinolin-8-ylamino)pyrrolidine-2,5-dione
PubChem CID43637754
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3-(quinolin-8-ylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2cccc3cccnc23)C(=O)N1
InChIInChI=1S/C13H11N3O2/c17-11-7-10(13(18)16-11)15-9-5-1-3-8-4-2-6-14-12(8)9/h1-6,10,15H,7H2,(H,16,17,18)
InChIKeyJOFSUTBRNCZGBL-UHFFFAOYSA-N
XLogP1.06
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-8-ylamino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(quinolin-8-ylamino)pyrrolidine-2,5-dione (CID 43637754) is 3-(quinolin-8-ylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(quinolin-8-ylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(quinolin-8-ylamino)pyrrolidine-2,5-dione is O=C1CC(Nc2cccc3cccnc23)C(=O)N1.
What is the InChIKey of 3-(quinolin-8-ylamino)pyrrolidine-2,5-dione?
The InChIKey is JOFSUTBRNCZGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c17-11-7-10(13(18)16-11)15-9-5-1-3-8-4-2-6-14-12(8)9/h1-6,10,15H,7H2,(H,16,17,18).
What are the key properties of 3-(quinolin-8-ylamino)pyrrolidine-2,5-dione?
3-(quinolin-8-ylamino)pyrrolidine-2,5-dione has a molecular weight of 241.25 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-8-ylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43637754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).