3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione

C19H18N2O2 — CID 594337

IUPAC3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCCc3ccccc32)C(=O)N1c1ccccc1
InChIInChI=1S/C19H18N2O2/c22-18-13-17(19(23)21(18)15-9-2-1-3-10-15)20-12-6-8-14-7-4-5-11-16(14)20/h1-5,7,9-11,17H,6,8,12-13H2
InChIKeyKAFRCVXCWWINGV-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.77
Rot. Bonds2

About 3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione

3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione (PubChem CID 594337) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione
PubChem CID594337
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCCc3ccccc32)C(=O)N1c1ccccc1
InChIInChI=1S/C19H18N2O2/c22-18-13-17(19(23)21(18)15-9-2-1-3-10-15)20-12-6-8-14-7-4-5-11-16(14)20/h1-5,7,9-11,17H,6,8,12-13H2
InChIKeyKAFRCVXCWWINGV-UHFFFAOYSA-N
XLogP2.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.77
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 3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione (CID 594337) is 3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione is O=C1CC(N2CCCc3ccccc32)C(=O)N1c1ccccc1.
What is the InChIKey of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione?
The InChIKey is KAFRCVXCWWINGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-18-13-17(19(23)21(18)15-9-2-1-3-10-15)20-12-6-8-14-7-4-5-11-16(14)20/h1-5,7,9-11,17H,6,8,12-13H2.
What are the key properties of 3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione?
3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione has a molecular weight of 306.37 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinolin-1-yl)-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 594337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).