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Ethyl 7-fluoro-1-(2-fluorocyclopropyl)-8-methyl-5-nitro-4-oxoquinoline-3-carboxylate

HCID 77257566
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1cn(C2CC2F)c2c(C)c(F)cc([N+](=O)[O-])c2c1=O
InChIKey
CFMWUQWAKLQSRX-UHFFFAOYSA-N
Molecular formula
C16H14F2N2O5
Average molar mass
352.29 g/mol

Names & identifiers

Preferred name
Ethyl 7-fluoro-1-(2-fluorocyclopropyl)-8-methyl-5-nitro-4-oxoquinoline-3-carboxylate
IUPAC
ethyl 7-fluoro-1-(2-fluorocyclopropyl)-8-methyl-5-nitro-4-oxoquinoline-3-carboxylate

Database identifiers

PubChem CID
77257566

Properties

Computed structural properties

XLogP
3
Topological polar surface area
92.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
25
Formal charge
0
Complexity
635

Related reactions

2 records
New reaction record
HRID 816344 reaction equation
HRID 816344As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1139756 reaction equation
HRID 1139756As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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