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

C22H24N2O4 — CID 137259423

IUPAC2-(3,4-dimethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCCC1=C(C)C2C=C/C(=N\C(=O)Cc3ccc(OC)c(OC)c3)C=C2NC1=O
InChIInChI=1S/C22H24N2O4/c1-5-16-13(2)17-8-7-15(12-18(17)24-22(16)26)23-21(25)11-14-6-9-19(27-3)20(10-14)28-4/h6-10,12,17H,5,11H2,1-4H3,(H,24,26)/b23-15+
InChIKeyLAGZDYOKIURNQG-HZHRSRAPSA-N
MW380.44 g/mol
LogP3.14
Rot. Bonds5

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

2-(3,4-dimethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (PubChem CID 137259423) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
PubChem CID137259423
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCCC1=C(C)C2C=C/C(=N\C(=O)Cc3ccc(OC)c(OC)c3)C=C2NC1=O
InChIInChI=1S/C22H24N2O4/c1-5-16-13(2)17-8-7-15(12-18(17)24-22(16)26)23-21(25)11-14-6-9-19(27-3)20(10-14)28-4/h6-10,12,17H,5,11H2,1-4H3,(H,24,26)/b23-15+
InChIKeyLAGZDYOKIURNQG-HZHRSRAPSA-N
XLogP3.14
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-methylpropanamide
CID 137259385
N-[4-(amino-hydroxy-oxo-λ6-sulfanylidene)cyclohexa-2,5-dien-1-ylidene]-2-(3,4-dimethoxyphenyl)acetamide
CID 126419111
4-butoxy-N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
CID 156590270
2-[methyl(methylsulfonyl)amino]-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259295
1-(3,4-dimethoxyphenyl)-3-methylbutan-2-one
CID 22953564
2-(3,4-dimethoxyphenyl)-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 16912805
(E)-5-(3,4-dimethoxyphenyl)-4-methylpent-3-en-2-one
CID 103970851
1-(3,4-dimethoxyphenyl)-4-methylidenehexan-2-one
CID 66045753
2-(3-methoxy-4-tetradecoxyphenyl)acetyl chloride
CID 19015065
2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethylidene]acetamide
CID 89486960
1-(3,4-dimethoxyphenyl)-4-hydroxybutane-2,3-dione
CID 69126114
methyl 3-(3,4-dimethoxyphenyl)-2-oxopropanoate
CID 15852024

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (CID 137259423) is 2-(3,4-dimethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide is CCC1=C(C)C2C=C/C(=N\C(=O)Cc3ccc(OC)c(OC)c3)C=C2NC1=O.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The InChIKey is LAGZDYOKIURNQG-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-5-16-13(2)17-8-7-15(12-18(17)24-22(16)26)23-21(25)11-14-6-9-19(27-3)20(10-14)28-4/h6-10,12,17H,5,11H2,1-4H3,(H,24,26)/b23-15+.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
2-(3,4-dimethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide has a molecular weight of 380.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(3-ethyl-4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide is sourced from PubChem (CID 137259423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).