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

C20H20N2O3 — CID 137259233

IUPAC2-(4-ethoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCCOc1ccc(CC(=O)/N=C2\C=CC3C(C)=CC(=O)NC3=C2)cc1
InChIInChI=1S/C20H20N2O3/c1-3-25-16-7-4-14(5-8-16)11-20(24)21-15-6-9-17-13(2)10-19(23)22-18(17)12-15/h4-10,12,17H,3,11H2,1-2H3,(H,22,23)/b21-15+
InChIKeyOCNUHTMBLCCPLS-RCCKNPSSSA-N
MW336.39 g/mol
LogP2.74
Rot. Bonds4

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

2-(4-ethoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (PubChem CID 137259233) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
PubChem CID137259233
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-(4-ethoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCCOc1ccc(CC(=O)/N=C2\C=CC3C(C)=CC(=O)NC3=C2)cc1
InChIInChI=1S/C20H20N2O3/c1-3-25-16-7-4-14(5-8-16)11-20(24)21-15-6-9-17-13(2)10-19(23)22-18(17)12-15/h4-10,12,17H,3,11H2,1-2H3,(H,22,23)/b21-15+
InChIKeyOCNUHTMBLCCPLS-RCCKNPSSSA-N
XLogP2.74
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (CID 137259233) is 2-(4-ethoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide is CCOc1ccc(CC(=O)/N=C2\C=CC3C(C)=CC(=O)NC3=C2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The InChIKey is OCNUHTMBLCCPLS-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-25-16-7-4-14(5-8-16)11-20(24)21-15-6-9-17-13(2)10-19(23)22-18(17)12-15/h4-10,12,17H,3,11H2,1-2H3,(H,22,23)/b21-15+.
What are the key properties of 2-(4-ethoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
2-(4-ethoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide is sourced from PubChem (CID 137259233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).