2,6-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide

C17H12F2N2O2 — CID 137259206

IUPAC2,6-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)c3c(F)cccc3F)C=CC12
InChIInChI=1S/C17H12F2N2O2/c1-9-7-15(22)21-14-8-10(5-6-11(9)14)20-17(23)16-12(18)3-2-4-13(16)19/h2-8,11H,1H3,(H,21,22)/b20-10+
InChIKeyJWMWDSSYZLETMJ-KEBDBYFISA-N
MW314.29 g/mol
LogP2.69
Rot. Bonds1

About 2,6-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide

2,6-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide (PubChem CID 137259206) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is 2,6-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
PubChem CID137259206
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC Name2,6-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)c3c(F)cccc3F)C=CC12
InChIInChI=1S/C17H12F2N2O2/c1-9-7-15(22)21-14-8-10(5-6-11(9)14)20-17(23)16-12(18)3-2-4-13(16)19/h2-8,11H,1H3,(H,21,22)/b20-10+
InChIKeyJWMWDSSYZLETMJ-KEBDBYFISA-N
XLogP2.69
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2,6-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-(5-methyl-3-oxocyclohexen-1-yl)benzamide
CID 168287906
Benzyl-[4-[(2,6-difluorobenzoyl)carbamoylamino]cyclohexa-2,4-dien-1-ylidene]-methylazanium
CID 54491717
N-[5-(2-cyclopentylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
CID 58091066
2,6-difluoro-N-[5-(2-piperidin-4-ylacetyl)-2H-pyrrol-4-yl]benzamide
CID 58091087
2,6-difluoro-N-[5-[2-(4-fluorophenyl)acetyl]-3-methyl-2H-pyrrol-4-yl]benzamide
CID 58091118
N-[5-(2-cyclohexylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
CID 59156534
4-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-5-carboxamide
CID 59156543
N-[5-(3-cyclohexylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
CID 59156549
N-[(E)-but-2-en-2-yl]-2-fluorobenzamide
CID 68112160
2,6-difluoro-N-prop-1-en-2-ylbenzamide
CID 69282830
N-[4-[3-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,5-dien-1-yl]-2,6-difluorobenzamide
CID 69675951
4-fluoro-3-methyl-N-[[(3R)-2-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydropyridin-3-yl]methyl]benzamide
CID 69706579

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
The IUPAC name of 2,6-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide (CID 137259206) is 2,6-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
The canonical SMILES for 2,6-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide is CC1=CC(=O)NC2=C/C(=N/C(=O)c3c(F)cccc3F)C=CC12.
What is the InChIKey of 2,6-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
The InChIKey is JWMWDSSYZLETMJ-KEBDBYFISA-N. The full InChI is InChI=1S/C17H12F2N2O2/c1-9-7-15(22)21-14-8-10(5-6-11(9)14)20-17(23)16-12(18)3-2-4-13(16)19/h2-8,11H,1H3,(H,21,22)/b20-10+.
What are the key properties of 2,6-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
2,6-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide has a molecular weight of 314.29 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide is sourced from PubChem (CID 137259206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).