2-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione

C24H24N2O4 — CID 1118066

IUPAC2-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H24N2O4/c1-5-30-16-10-11-20-19(12-16)15(2)13-24(3,4)26(20)21(27)14-25-22(28)17-8-6-7-9-18(17)23(25)29/h6-13H,5,14H2,1-4H3
InChIKeyBRLSRWUTLJYEJZ-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.91
Rot. Bonds4

About 2-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione

2-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 1118066) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID1118066
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name2-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C24H24N2O4/c1-5-30-16-10-11-20-19(12-16)15(2)13-24(3,4)26(20)21(27)14-25-22(28)17-8-6-7-9-18(17)23(25)29/h6-13H,5,14H2,1-4H3
InChIKeyBRLSRWUTLJYEJZ-UHFFFAOYSA-N
XLogP3.91
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.91
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 2-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione (CID 1118066) is 2-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione is CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is BRLSRWUTLJYEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-5-30-16-10-11-20-19(12-16)15(2)13-24(3,4)26(20)21(27)14-25-22(28)17-8-6-7-9-18(17)23(25)29/h6-13H,5,14H2,1-4H3.
What are the key properties of 2-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
2-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 404.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 1118066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).