1-[2-(7-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione

C20H24N2O4 — CID 649182

IUPAC1-[2-(7-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCCOc1ccc2c(c1)N(C(=O)CN1C(=O)CCC1=O)C(C)(C)C=C2C
InChIInChI=1S/C20H24N2O4/c1-5-26-14-6-7-15-13(2)11-20(3,4)22(16(15)10-14)19(25)12-21-17(23)8-9-18(21)24/h6-7,10-11H,5,8-9,12H2,1-4H3
InChIKeyISBMYBVHLDNWDW-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.76
Rot. Bonds4

About 1-[2-(7-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-(7-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 649182) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[2-(7-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(7-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID649182
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1-[2-(7-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCCOc1ccc2c(c1)N(C(=O)CN1C(=O)CCC1=O)C(C)(C)C=C2C
InChIInChI=1S/C20H24N2O4/c1-5-26-14-6-7-15-13(2)11-20(3,4)22(16(15)10-14)19(25)12-21-17(23)8-9-18(21)24/h6-7,10-11H,5,8-9,12H2,1-4H3
InChIKeyISBMYBVHLDNWDW-UHFFFAOYSA-N
XLogP2.76
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
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 1-[2-(7-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(7-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione (CID 649182) is 1-[2-(7-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(7-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(7-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione is CCOc1ccc2c(c1)N(C(=O)CN1C(=O)CCC1=O)C(C)(C)C=C2C.
What is the InChIKey of 1-[2-(7-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is ISBMYBVHLDNWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-5-26-14-6-7-15-13(2)11-20(3,4)22(16(15)10-14)19(25)12-21-17(23)8-9-18(21)24/h6-7,10-11H,5,8-9,12H2,1-4H3.
What are the key properties of 1-[2-(7-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-(7-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 356.42 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 649182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).