1-Ethyl-6-fluoro-7-[4-(4-pyridyl)piperazin-1-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

HCID 15411477
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Basic information

Standard SMILES
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4ccncc4)CC3)cc21
InChIKey
YXQLAOWKAIUECA-UHFFFAOYSA-N
Molecular formula
C21H21FN4O3
Average molar mass
396.4 g/mol
Monoisotopic mass
396.15976871

Names & identifiers

Preferred name
1-Ethyl-6-fluoro-7-[4-(4-pyridyl)piperazin-1-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
IUPAC
1-ethyl-6-fluoro-4-oxo-7-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Names & synonyms

SCHEMBL7013587YXQLAOWKAIUECA-UHFFFAOYSA-N1-Ethyl-6-fluoro-7-[4-(4-pyridyl)piperazin-1-yl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Database identifiers

PubChem CID
15411477

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
77 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
29

Related reactions

2 records
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Compound notes

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