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

C20H20N2O4 — CID 137259574

IUPACN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)/N=C2\C=CC3C(=C2)NC(=O)C(C)=C3C)cc1
InChIInChI=1S/C20H20N2O4/c1-12-13(2)20(24)22-18-10-14(4-9-17(12)18)21-19(23)11-26-16-7-5-15(25-3)6-8-16/h4-10,17H,11H2,1-3H3,(H,22,24)/b21-14+
InChIKeyHBKWZNBBYIQOQX-KGENOOAVSA-N
MW352.39 g/mol
LogP2.58
Rot. Bonds4

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

N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-methoxyphenoxy)acetamide (PubChem CID 137259574) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-methoxyphenoxy)acetamide
PubChem CID137259574
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)/N=C2\C=CC3C(=C2)NC(=O)C(C)=C3C)cc1
InChIInChI=1S/C20H20N2O4/c1-12-13(2)20(24)22-18-10-14(4-9-17(12)18)21-19(23)11-26-16-7-5-15(25-3)6-8-16/h4-10,17H,11H2,1-3H3,(H,22,24)/b21-14+
InChIKeyHBKWZNBBYIQOQX-KGENOOAVSA-N
XLogP2.58
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.58
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-methoxyphenoxy)acetamide?
The IUPAC name of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-methoxyphenoxy)acetamide (CID 137259574) is N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-methoxyphenoxy)acetamide is COc1ccc(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-methoxyphenoxy)acetamide?
The InChIKey is HBKWZNBBYIQOQX-KGENOOAVSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-12-13(2)20(24)22-18-10-14(4-9-17(12)18)21-19(23)11-26-16-7-5-15(25-3)6-8-16/h4-10,17H,11H2,1-3H3,(H,22,24)/b21-14+.
What are the key properties of N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-methoxyphenoxy)acetamide?
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-(4-methoxyphenoxy)acetamide has a molecular weight of 352.39 g/mol, XLogP of 2.58, 4 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-methoxyphenoxy)acetamide is sourced from PubChem (CID 137259574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).