3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione

C21H21N3O3 — CID 71897160

IUPAC3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESO=C1CCc2cc(NC3CC(=O)N(CCc4ccccc4)C3=O)ccc2N1
InChIInChI=1S/C21H21N3O3/c25-19-9-6-15-12-16(7-8-17(15)23-19)22-18-13-20(26)24(21(18)27)11-10-14-4-2-1-3-5-14/h1-5,7-8,12,18,22H,6,9-11,13H2,(H,23,25)
InChIKeyFKSXZNVJOLGRJP-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.35
Rot. Bonds5

About 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione

3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione (PubChem CID 71897160) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione
PubChem CID71897160
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione
SMILESO=C1CCc2cc(NC3CC(=O)N(CCc4ccccc4)C3=O)ccc2N1
InChIInChI=1S/C21H21N3O3/c25-19-9-6-15-12-16(7-8-17(15)23-19)22-18-13-20(26)24(21(18)27)11-10-14-4-2-1-3-5-14/h1-5,7-8,12,18,22H,6,9-11,13H2,(H,23,25)
InChIKeyFKSXZNVJOLGRJP-UHFFFAOYSA-N
XLogP2.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.35
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-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione (CID 71897160) is 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione is O=C1CCc2cc(NC3CC(=O)N(CCc4ccccc4)C3=O)ccc2N1.
What is the InChIKey of 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione?
The InChIKey is FKSXZNVJOLGRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-19-9-6-15-12-16(7-8-17(15)23-19)22-18-13-20(26)24(21(18)27)11-10-14-4-2-1-3-5-14/h1-5,7-8,12,18,22H,6,9-11,13H2,(H,23,25).
What are the key properties of 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione?
3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione has a molecular weight of 363.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-1-(2-phenylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 71897160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).