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

C17H12F2N2O2 — CID 137259261

IUPAC2,4-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)c3ccc(F)cc3F)C=CC12
InChIInChI=1S/C17H12F2N2O2/c1-9-6-16(22)21-15-8-11(3-5-12(9)15)20-17(23)13-4-2-10(18)7-14(13)19/h2-8,12H,1H3,(H,21,22)/b20-11+
InChIKeyLYWFURVJSCSRMO-RGVLZGJSSA-N
MW314.29 g/mol
LogP2.69
Rot. Bonds1

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

2,4-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide (PubChem CID 137259261) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is 2,4-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
PubChem CID137259261
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC Name2,4-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)c3ccc(F)cc3F)C=CC12
InChIInChI=1S/C17H12F2N2O2/c1-9-6-16(22)21-15-8-11(3-5-12(9)15)20-17(23)13-4-2-10(18)7-14(13)19/h2-8,12H,1H3,(H,21,22)/b20-11+
InChIKeyLYWFURVJSCSRMO-RGVLZGJSSA-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'}

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Related Compounds

N-(3-ethyl-2-oxoquinazolin-4-yl)-4-fluorobenzamide
CID 3604536
2-fluoro-N-(5-methyl-3-oxocyclohexen-1-yl)benzamide
CID 168287906
N-[(Z)-3-(3,4-difluorophenyl)-3-oxo-1-phenylprop-1-enyl]acetamide
CID 176436108
2,4-difluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 47067429
4-fluoro-3-methyl-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)benzamide
CID 75453619
3-ethyl-7-fluoro-2H-isoquinolin-1-one
CID 23084856
7-Fluoro-3-methyl-1,2-dihydroisoquinolin-1-one
CID 23084881
3-butyl-6-fluoro-2H-isoquinolin-1-one
CID 54487055
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

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
The IUPAC name of 2,4-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide (CID 137259261) is 2,4-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide.
What is the SMILES notation for 2,4-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
The canonical SMILES for 2,4-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide is CC1=CC(=O)NC2=C/C(=N/C(=O)c3ccc(F)cc3F)C=CC12.
What is the InChIKey of 2,4-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
The InChIKey is LYWFURVJSCSRMO-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c1-9-6-16(22)21-15-8-11(3-5-12(9)15)20-17(23)13-4-2-10(18)7-14(13)19/h2-8,12H,1H3,(H,21,22)/b20-11+.
What are the key properties of 2,4-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide?
2,4-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 2,4-difluoro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide is sourced from PubChem (CID 137259261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).