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

C21H22N2O3 — CID 137259579

IUPACN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)/N=C2\C=CC3C(=C2)NC(=O)C(C)=C3C)cc1
InChIInChI=1S/C21H22N2O3/c1-4-26-17-8-5-15(6-9-17)11-20(24)22-16-7-10-18-13(2)14(3)21(25)23-19(18)12-16/h5-10,12,18H,4,11H2,1-3H3,(H,23,25)/b22-16+
InChIKeyILYVQVSTODYNSG-CJLVFECKSA-N
MW350.42 g/mol
LogP3.13
Rot. Bonds4

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

N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenyl)acetamide (PubChem CID 137259579) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenyl)acetamide
PubChem CID137259579
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)/N=C2\C=CC3C(=C2)NC(=O)C(C)=C3C)cc1
InChIInChI=1S/C21H22N2O3/c1-4-26-17-8-5-15(6-9-17)11-20(24)22-16-7-10-18-13(2)14(3)21(25)23-19(18)12-16/h5-10,12,18H,4,11H2,1-3H3,(H,23,25)/b22-16+
InChIKeyILYVQVSTODYNSG-CJLVFECKSA-N
XLogP3.13
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenyl)acetamide (CID 137259579) is N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)/N=C2\C=CC3C(=C2)NC(=O)C(C)=C3C)cc1.
What is the InChIKey of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenyl)acetamide?
The InChIKey is ILYVQVSTODYNSG-CJLVFECKSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-26-17-8-5-15(6-9-17)11-20(24)22-16-7-10-18-13(2)14(3)21(25)23-19(18)12-16/h5-10,12,18H,4,11H2,1-3H3,(H,23,25)/b22-16+.
What are the key properties of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenyl)acetamide?
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenyl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 137259579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).