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

C19H18N2O3 — CID 137259231

IUPAC2-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCOc1ccc(CC(=O)/N=C2\C=CC3C(C)=CC(=O)NC3=C2)cc1
InChIInChI=1S/C19H18N2O3/c1-12-9-18(22)21-17-11-14(5-8-16(12)17)20-19(23)10-13-3-6-15(24-2)7-4-13/h3-9,11,16H,10H2,1-2H3,(H,21,22)/b20-14+
InChIKeyQICRGJXMOHGGLS-XSFVSMFZSA-N
MW322.36 g/mol
LogP2.35
Rot. Bonds3

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

2-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (PubChem CID 137259231) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
PubChem CID137259231
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCOc1ccc(CC(=O)/N=C2\C=CC3C(C)=CC(=O)NC3=C2)cc1
InChIInChI=1S/C19H18N2O3/c1-12-9-18(22)21-17-11-14(5-8-16(12)17)20-19(23)10-13-3-6-15(24-2)7-4-13/h3-9,11,16H,10H2,1-2H3,(H,21,22)/b20-14+
InChIKeyQICRGJXMOHGGLS-XSFVSMFZSA-N
XLogP2.35
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (CID 137259231) is 2-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide is COc1ccc(CC(=O)/N=C2\C=CC3C(C)=CC(=O)NC3=C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The InChIKey is QICRGJXMOHGGLS-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-9-18(22)21-17-11-14(5-8-16(12)17)20-19(23)10-13-3-6-15(24-2)7-4-13/h3-9,11,16H,10H2,1-2H3,(H,21,22)/b20-14+.
What are the key properties of 2-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
2-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide has a molecular weight of 322.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide is sourced from PubChem (CID 137259231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).