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

C20H20N2O4 — CID 137259229

IUPAC2-(4-ethoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCCOc1ccc(OCC(=O)/N=C2\C=CC3C(C)=CC(=O)NC3=C2)cc1
InChIInChI=1S/C20H20N2O4/c1-3-25-15-5-7-16(8-6-15)26-12-20(24)21-14-4-9-17-13(2)10-19(23)22-18(17)11-14/h4-11,17H,3,12H2,1-2H3,(H,22,23)/b21-14+
InChIKeyFQPZOKGEYNPWDV-KGENOOAVSA-N
MW352.39 g/mol
LogP2.58
Rot. Bonds5

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

2-(4-ethoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (PubChem CID 137259229) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
PubChem CID137259229
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-(4-ethoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCCOc1ccc(OCC(=O)/N=C2\C=CC3C(C)=CC(=O)NC3=C2)cc1
InChIInChI=1S/C20H20N2O4/c1-3-25-15-5-7-16(8-6-15)26-12-20(24)21-14-4-9-17-13(2)10-19(23)22-18(17)11-14/h4-11,17H,3,12H2,1-2H3,(H,22,23)/b21-14+
InChIKeyFQPZOKGEYNPWDV-KGENOOAVSA-N
XLogP2.58
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.58
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-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (CID 137259229) is 2-(4-ethoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide is CCOc1ccc(OCC(=O)/N=C2\C=CC3C(C)=CC(=O)NC3=C2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The InChIKey is FQPZOKGEYNPWDV-KGENOOAVSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-25-15-5-7-16(8-6-15)26-12-20(24)21-14-4-9-17-13(2)10-19(23)22-18(17)11-14/h4-11,17H,3,12H2,1-2H3,(H,22,23)/b21-14+.
What are the key properties of 2-(4-ethoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
2-(4-ethoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide has a molecular weight of 352.39 g/mol, XLogP of 2.58, 5 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-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide is sourced from PubChem (CID 137259229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).