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

C25H26N2O4 — CID 2865141

IUPAC2-[1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
SMILESCCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H26N2O4/c1-6-31-17-11-12-21-20(13-17)15(2)14-25(4,5)27(21)22(28)16(3)26-23(29)18-9-7-8-10-19(18)24(26)30/h7-14,16H,6H2,1-5H3
InChIKeyQTUQFNIUFYTLGC-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.30
Rot. Bonds4

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

2-[1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione (PubChem CID 2865141) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is 2-[1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
PubChem CID2865141
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC Name2-[1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
SMILESCCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C(C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C25H26N2O4/c1-6-31-17-11-12-21-20(13-17)15(2)14-25(4,5)27(21)22(28)16(3)26-23(29)18-9-7-8-10-19(18)24(26)30/h7-14,16H,6H2,1-5H3
InChIKeyQTUQFNIUFYTLGC-UHFFFAOYSA-N
XLogP4.30
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.30
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-[1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione (CID 2865141) is 2-[1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione is CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)C(C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
The InChIKey is QTUQFNIUFYTLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-6-31-17-11-12-21-20(13-17)15(2)14-25(4,5)27(21)22(28)16(3)26-23(29)18-9-7-8-10-19(18)24(26)30/h7-14,16H,6H2,1-5H3.
What are the key properties of 2-[1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione?
2-[1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione has a molecular weight of 418.49 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 2865141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).