2-(4-ethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide

C22H24N2O3 — CID 137259424

IUPAC2-(4-ethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCCOc1ccc(CC(=O)/N=C2\C=CC3C(=C2)NC(=O)C(CC)=C3C)cc1
InChIInChI=1S/C22H24N2O3/c1-4-18-14(3)19-11-8-16(13-20(19)24-22(18)26)23-21(25)12-15-6-9-17(10-7-15)27-5-2/h6-11,13,19H,4-5,12H2,1-3H3,(H,24,26)/b23-16+
InChIKeyPPBGDZQISJVILX-XQNSMLJCSA-N
MW364.45 g/mol
LogP3.52
Rot. Bonds5

About 2-(4-ethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide

2-(4-ethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (PubChem CID 137259424) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
PubChem CID137259424
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-(4-ethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCCOc1ccc(CC(=O)/N=C2\C=CC3C(=C2)NC(=O)C(CC)=C3C)cc1
InChIInChI=1S/C22H24N2O3/c1-4-18-14(3)19-11-8-16(13-20(19)24-22(18)26)23-21(25)12-15-6-9-17(10-7-15)27-5-2/h6-11,13,19H,4-5,12H2,1-3H3,(H,24,26)/b23-16+
InChIKeyPPBGDZQISJVILX-XQNSMLJCSA-N
XLogP3.52
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.52
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-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (CID 137259424) is 2-(4-ethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide is CCOc1ccc(CC(=O)/N=C2\C=CC3C(=C2)NC(=O)C(CC)=C3C)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The InChIKey is PPBGDZQISJVILX-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-18-14(3)19-11-8-16(13-20(19)24-22(18)26)23-21(25)12-15-6-9-17(10-7-15)27-5-2/h6-11,13,19H,4-5,12H2,1-3H3,(H,24,26)/b23-16+.
What are the key properties of 2-(4-ethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
2-(4-ethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide is sourced from PubChem (CID 137259424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).