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

C18H15ClN2O2 — CID 137259266

IUPAC2-(2-chlorophenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)Cc3ccccc3Cl)C=CC12
InChIInChI=1S/C18H15ClN2O2/c1-11-8-17(22)21-16-10-13(6-7-14(11)16)20-18(23)9-12-4-2-3-5-15(12)19/h2-8,10,14H,9H2,1H3,(H,21,22)/b20-13+
InChIKeyPBTKHMSIJDFXEX-DEDYPNTBSA-N
MW326.78 g/mol
LogP3.00
Rot. Bonds2

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

2-(2-chlorophenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (PubChem CID 137259266) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
PubChem CID137259266
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name2-(2-chlorophenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)Cc3ccccc3Cl)C=CC12
InChIInChI=1S/C18H15ClN2O2/c1-11-8-17(22)21-16-10-13(6-7-14(11)16)20-18(23)9-12-4-2-3-5-15(12)19/h2-8,10,14H,9H2,1H3,(H,21,22)/b20-13+
InChIKeyPBTKHMSIJDFXEX-DEDYPNTBSA-N
XLogP3.00
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-chlorophenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide (CID 137259266) is 2-(2-chlorophenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide is CC1=CC(=O)NC2=C/C(=N/C(=O)Cc3ccccc3Cl)C=CC12.
What is the InChIKey of 2-(2-chlorophenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
The InChIKey is PBTKHMSIJDFXEX-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-11-8-17(22)21-16-10-13(6-7-14(11)16)20-18(23)9-12-4-2-3-5-15(12)19/h2-8,10,14H,9H2,1H3,(H,21,22)/b20-13+.
What are the key properties of 2-(2-chlorophenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide?
2-(2-chlorophenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide has a molecular weight of 326.78 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide is sourced from PubChem (CID 137259266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).