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

C21H22N2O4 — CID 137259575

IUPACN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)/N=C2\C=CC3C(=C2)NC(=O)C(C)=C3C)cc1
InChIInChI=1S/C21H22N2O4/c1-4-26-16-6-8-17(9-7-16)27-12-20(24)22-15-5-10-18-13(2)14(3)21(25)23-19(18)11-15/h5-11,18H,4,12H2,1-3H3,(H,23,25)/b22-15+
InChIKeyLLTDUEYGTBLIOY-PXLXIMEGSA-N
MW366.42 g/mol
LogP2.97
Rot. Bonds5

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

N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenoxy)acetamide (PubChem CID 137259575) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenoxy)acetamide
PubChem CID137259575
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenoxy)acetamide
SMILESCCOc1ccc(OCC(=O)/N=C2\C=CC3C(=C2)NC(=O)C(C)=C3C)cc1
InChIInChI=1S/C21H22N2O4/c1-4-26-16-6-8-17(9-7-16)27-12-20(24)22-15-5-10-18-13(2)14(3)21(25)23-19(18)11-15/h5-11,18H,4,12H2,1-3H3,(H,23,25)/b22-15+
InChIKeyLLTDUEYGTBLIOY-PXLXIMEGSA-N
XLogP2.97
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.97
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 N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenoxy)acetamide?
The IUPAC name of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenoxy)acetamide (CID 137259575) is N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenoxy)acetamide?
The canonical SMILES for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenoxy)acetamide is CCOc1ccc(OCC(=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-ethoxyphenoxy)acetamide?
The InChIKey is LLTDUEYGTBLIOY-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-4-26-16-6-8-17(9-7-16)27-12-20(24)22-15-5-10-18-13(2)14(3)21(25)23-19(18)11-15/h5-11,18H,4,12H2,1-3H3,(H,23,25)/b22-15+.
What are the key properties of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenoxy)acetamide?
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-ethoxyphenoxy)acetamide has a molecular weight of 366.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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-ethoxyphenoxy)acetamide is sourced from PubChem (CID 137259575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).