Ethyl 1-[4-(4-cyano-1H-pyrazol-1-yl)benzyl]-5-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

HCID 44816892
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Basic information

Standard SMILES
CCOC(=O)c1cn(Cc2ccc(-n3cc(C#N)cn3)cc2)c2cccc(F)c2c1=O
InChIKey
XESJMVJXSMPELS-UHFFFAOYSA-N
Molecular formula
C23H17FN4O3
Average molar mass
416.4 g/mol
Monoisotopic mass
416.12846858

Names & identifiers

Preferred name
Ethyl 1-[4-(4-cyano-1H-pyrazol-1-yl)benzyl]-5-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
IUPAC
ethyl 1-[[4-(4-cyanopyrazol-1-yl)phenyl]methyl]-5-fluoro-4-oxoquinoline-3-carboxylate

Names & synonyms

SCHEMBL1931477XESJMVJXSMPELS-UHFFFAOYSA-NEthyl 1-[4-(4-cyano-1H-pyrazol-1-yl)benzyl]-5-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Database identifiers

PubChem CID
44816892

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
88.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
31

Related reactions

2 records
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Compound notes

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