6-Fluoro-4-oxo-1-phenyl-7-piperazin-1-yl-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid

HCID 12901164

Notes Reactions

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Basic information

CAS: 100426-72-0
Standard SMILES: O=C(O)c1cn(-c2ccccc2)c2nc(N3CCNCC3)c(F)cc2c1=O
InChIKey: OLFLLRNKUOVXCH-UHFFFAOYSA-N
Molecular formula: C19H17FN4O3
Average molar mass: 368.4 g/mol
Monoisotopic mass: 368.12846858

Names & identifiers

Preferred name: 6-Fluoro-4-oxo-1-phenyl-7-piperazin-1-yl-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid
IUPAC: 6-fluoro-4-oxo-1-phenyl-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acid
English name: 6-Fluoro-4-oxo-1-phenyl-7-piperazin-1-yl-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid
Molecular formula: C19H17FN4O3
Molecular weight: 368.36

Names & synonyms

100426-72-06-Fluoro-4-oxo-1-phenyl-7-piperazin-1-yl-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid6-Fluoro-4-oxo-1-phenyl-7-(piperazin-1-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acidOLFLLRNKUOVXCH-UHFFFAOYSA-N6-fluoro-4-oxo-1-phenyl-7-piperazin-1-yl-1,8-naphthyridine-3-carboxylic acidOprea1_689363CHEMBL306096SCHEMBL9536876DTXSID505125621-Phenyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-1,8-naphthyridine-3-carboxylic acid1,8-Naphthyridine-3-carboxylic acid, 6-fluoro-1,4-dihydro-4-oxo-1-phenyl-7-(1-piperazinyl)-

Database identifiers

CAS: 100426-72-0
PubChem CID: 12901164
DTXSID: DTXSID50512562
ChEMBL: CHEMBL306096

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 85.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 27
Formal charge: 0
Complexity: 616

Related reactions

2 records

New reaction record

HRID 2133327As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2290241As productuspto-grants-1986_10

Compound notes

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