2-(4-ethoxyphenoxy)-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide

C21H22N2O4 — CID 137260175

IUPAC2-(4-ethoxyphenoxy)-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCCOc1ccc(OCC(=O)/N=C2\C=CC3C(CC)=CC(=O)NC3=C2)cc1
InChIInChI=1S/C21H22N2O4/c1-3-14-11-20(24)23-19-12-15(5-10-18(14)19)22-21(25)13-27-17-8-6-16(7-9-17)26-4-2/h5-12,18H,3-4,13H2,1-2H3,(H,23,24)/b22-15+
InChIKeyXTORWSZLVBXBDK-PXLXIMEGSA-N
MW366.42 g/mol
LogP2.97
Rot. Bonds6

About 2-(4-ethoxyphenoxy)-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide

2-(4-ethoxyphenoxy)-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (PubChem CID 137260175) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
PubChem CID137260175
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name2-(4-ethoxyphenoxy)-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCCOc1ccc(OCC(=O)/N=C2\C=CC3C(CC)=CC(=O)NC3=C2)cc1
InChIInChI=1S/C21H22N2O4/c1-3-14-11-20(24)23-19-12-15(5-10-18(14)19)22-21(25)13-27-17-8-6-16(7-9-17)26-4-2/h5-12,18H,3-4,13H2,1-2H3,(H,23,24)/b22-15+
InChIKeyXTORWSZLVBXBDK-PXLXIMEGSA-N
XLogP2.97
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (CID 137260175) is 2-(4-ethoxyphenoxy)-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide is CCOc1ccc(OCC(=O)/N=C2\C=CC3C(CC)=CC(=O)NC3=C2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The InChIKey is XTORWSZLVBXBDK-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-14-11-20(24)23-19-12-15(5-10-18(14)19)22-21(25)13-27-17-8-6-16(7-9-17)26-4-2/h5-12,18H,3-4,13H2,1-2H3,(H,23,24)/b22-15+.
What are the key properties of 2-(4-ethoxyphenoxy)-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
2-(4-ethoxyphenoxy)-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide has a molecular weight of 366.42 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-(4-ethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide is sourced from PubChem (CID 137260175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).