1-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]pyrrolidine-2,5-dione

C18H22N2O3 — CID 2879376

IUPAC1-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESCC1CC(C)(C)N(C(=O)CN2C(=O)CCC2=O)c2ccccc21
InChIInChI=1S/C18H22N2O3/c1-12-10-18(2,3)20(14-7-5-4-6-13(12)14)17(23)11-19-15(21)8-9-16(19)22/h4-7,12H,8-11H2,1-3H3
InChIKeyLRDUMSITDDADMB-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.45
Rot. Bonds2

About 1-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]pyrrolidine-2,5-dione

1-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 2879376) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID2879376
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESCC1CC(C)(C)N(C(=O)CN2C(=O)CCC2=O)c2ccccc21
InChIInChI=1S/C18H22N2O3/c1-12-10-18(2,3)20(14-7-5-4-6-13(12)14)17(23)11-19-15(21)8-9-16(19)22/h4-7,12H,8-11H2,1-3H3
InChIKeyLRDUMSITDDADMB-UHFFFAOYSA-N
XLogP2.45
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.45
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 1-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]pyrrolidine-2,5-dione (CID 2879376) is 1-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]pyrrolidine-2,5-dione is CC1CC(C)(C)N(C(=O)CN2C(=O)CCC2=O)c2ccccc21.
What is the InChIKey of 1-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is LRDUMSITDDADMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-10-18(2,3)20(14-7-5-4-6-13(12)14)17(23)11-19-15(21)8-9-16(19)22/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 1-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]pyrrolidine-2,5-dione?
1-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 314.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2879376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).