3-(2-oxo-5-phenyl-3,4-dihydroquinolin-1-yl)pyrrolidine-2,5-dione

C19H16N2O3 — CID 170614950

IUPAC3-(2-oxo-5-phenyl-3,4-dihydroquinolin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2C(=O)CCc3c(-c4ccccc4)cccc32)C(=O)N1
InChIInChI=1S/C19H16N2O3/c22-17-11-16(19(24)20-17)21-15-8-4-7-13(12-5-2-1-3-6-12)14(15)9-10-18(21)23/h1-8,16H,9-11H2,(H,20,22,24)
InChIKeyVRFFWFACIYRAEH-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.05
Rot. Bonds2

About 3-(2-oxo-5-phenyl-3,4-dihydroquinolin-1-yl)pyrrolidine-2,5-dione

3-(2-oxo-5-phenyl-3,4-dihydroquinolin-1-yl)pyrrolidine-2,5-dione (PubChem CID 170614950) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-(2-oxo-5-phenyl-3,4-dihydroquinolin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-oxo-5-phenyl-3,4-dihydroquinolin-1-yl)pyrrolidine-2,5-dione
PubChem CID170614950
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name3-(2-oxo-5-phenyl-3,4-dihydroquinolin-1-yl)pyrrolidine-2,5-dione
SMILESO=C1CC(N2C(=O)CCc3c(-c4ccccc4)cccc32)C(=O)N1
InChIInChI=1S/C19H16N2O3/c22-17-11-16(19(24)20-17)21-15-8-4-7-13(12-5-2-1-3-6-12)14(15)9-10-18(21)23/h1-8,16H,9-11H2,(H,20,22,24)
InChIKeyVRFFWFACIYRAEH-UHFFFAOYSA-N
XLogP2.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.05
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-(3-oxo-8-phenyl-1,4-benzoxazin-4-yl)piperidine-2,6-dione
CID 170614983
3-(2-oxobenzo[cd]indol-1-yl)pyrrolidine-2,5-dione
CID 167009255
(5S)-5-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 129398640
3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156502012
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
(2aR)-2a,4-dihydro-2H-azeto[1,2-a]quinoxaline-1,3-dione
CID 29021487
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
2-(2,5-dioxopyrrolidin-3-yl)-4-hydroxyisoindole-1,3-dione
CID 170907328
4-(4-acetylphenyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 46230589
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-5-phenyl-3,4-dihydroquinolin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-oxo-5-phenyl-3,4-dihydroquinolin-1-yl)pyrrolidine-2,5-dione (CID 170614950) is 3-(2-oxo-5-phenyl-3,4-dihydroquinolin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-oxo-5-phenyl-3,4-dihydroquinolin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-oxo-5-phenyl-3,4-dihydroquinolin-1-yl)pyrrolidine-2,5-dione is O=C1CC(N2C(=O)CCc3c(-c4ccccc4)cccc32)C(=O)N1.
What is the InChIKey of 3-(2-oxo-5-phenyl-3,4-dihydroquinolin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is VRFFWFACIYRAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-17-11-16(19(24)20-17)21-15-8-4-7-13(12-5-2-1-3-6-12)14(15)9-10-18(21)23/h1-8,16H,9-11H2,(H,20,22,24).
What are the key properties of 3-(2-oxo-5-phenyl-3,4-dihydroquinolin-1-yl)pyrrolidine-2,5-dione?
3-(2-oxo-5-phenyl-3,4-dihydroquinolin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 320.35 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-5-phenyl-3,4-dihydroquinolin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 170614950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).