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

C19H18N2O4 — CID 137259227

IUPAC2-(3-methoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCOc1cccc(OCC(=O)/N=C2\C=CC3C(C)=CC(=O)NC3=C2)c1
InChIInChI=1S/C19H18N2O4/c1-12-8-18(22)21-17-9-13(6-7-16(12)17)20-19(23)11-25-15-5-3-4-14(10-15)24-2/h3-10,16H,11H2,1-2H3,(H,21,22)/b20-13+
InChIKeyCCMFVKCQBVTZPN-DEDYPNTBSA-N
MW338.36 g/mol
LogP2.19
Rot. Bonds4

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

2-(3-methoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (PubChem CID 137259227) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
PubChem CID137259227
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-(3-methoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCOc1cccc(OCC(=O)/N=C2\C=CC3C(C)=CC(=O)NC3=C2)c1
InChIInChI=1S/C19H18N2O4/c1-12-8-18(22)21-17-9-13(6-7-16(12)17)20-19(23)11-25-15-5-3-4-14(10-15)24-2/h3-10,16H,11H2,1-2H3,(H,21,22)/b20-13+
InChIKeyCCMFVKCQBVTZPN-DEDYPNTBSA-N
XLogP2.19
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.19
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 2-(3-methoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The IUPAC name of 2-(3-methoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (CID 137259227) is 2-(3-methoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.
What is the SMILES notation for 2-(3-methoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The canonical SMILES for 2-(3-methoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide is COc1cccc(OCC(=O)/N=C2\C=CC3C(C)=CC(=O)NC3=C2)c1.
What is the InChIKey of 2-(3-methoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The InChIKey is CCMFVKCQBVTZPN-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12-8-18(22)21-17-9-13(6-7-16(12)17)20-19(23)11-25-15-5-3-4-14(10-15)24-2/h3-10,16H,11H2,1-2H3,(H,21,22)/b20-13+.
What are the key properties of 2-(3-methoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
2-(3-methoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide has a molecular weight of 338.36 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide is sourced from PubChem (CID 137259227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).