3-(4-quinolin-8-yloxyanilino)pyrrolidine-2,5-dione

C19H15N3O3 — CID 167881261

IUPAC3-(4-quinolin-8-yloxyanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(Oc3cccc4cccnc34)cc2)C(=O)N1
InChIInChI=1S/C19H15N3O3/c23-17-11-15(19(24)22-17)21-13-6-8-14(9-7-13)25-16-5-1-3-12-4-2-10-20-18(12)16/h1-10,15,21H,11H2,(H,22,23,24)
InChIKeyVGDGLNRJWCWSFV-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.85
Rot. Bonds4

About 3-(4-quinolin-8-yloxyanilino)pyrrolidine-2,5-dione

3-(4-quinolin-8-yloxyanilino)pyrrolidine-2,5-dione (PubChem CID 167881261) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-(4-quinolin-8-yloxyanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-quinolin-8-yloxyanilino)pyrrolidine-2,5-dione
PubChem CID167881261
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name3-(4-quinolin-8-yloxyanilino)pyrrolidine-2,5-dione
SMILESO=C1CC(Nc2ccc(Oc3cccc4cccnc34)cc2)C(=O)N1
InChIInChI=1S/C19H15N3O3/c23-17-11-15(19(24)22-17)21-13-6-8-14(9-7-13)25-16-5-1-3-12-4-2-10-20-18(12)16/h1-10,15,21H,11H2,(H,22,23,24)
InChIKeyVGDGLNRJWCWSFV-UHFFFAOYSA-N
XLogP2.85
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
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 3-(4-quinolin-8-yloxyanilino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-quinolin-8-yloxyanilino)pyrrolidine-2,5-dione (CID 167881261) is 3-(4-quinolin-8-yloxyanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-quinolin-8-yloxyanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-quinolin-8-yloxyanilino)pyrrolidine-2,5-dione is O=C1CC(Nc2ccc(Oc3cccc4cccnc34)cc2)C(=O)N1.
What is the InChIKey of 3-(4-quinolin-8-yloxyanilino)pyrrolidine-2,5-dione?
The InChIKey is VGDGLNRJWCWSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-17-11-15(19(24)22-17)21-13-6-8-14(9-7-13)25-16-5-1-3-12-4-2-10-20-18(12)16/h1-10,15,21H,11H2,(H,22,23,24).
What are the key properties of 3-(4-quinolin-8-yloxyanilino)pyrrolidine-2,5-dione?
3-(4-quinolin-8-yloxyanilino)pyrrolidine-2,5-dione has a molecular weight of 333.35 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-quinolin-8-yloxyanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 167881261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).