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1-Tert-butyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

HCID 459970
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Basic information

CAS
116162-95-9
Standard SMILES
CC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)CCN1
InChIKey
QXNOSGDKQAIMRL-UHFFFAOYSA-N
Molecular formula
C18H23FN4O3
Average molar mass
362.4 g/mol
Monoisotopic mass
362.17541877

Names & identifiers

Preferred name
1-Tert-butyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
IUPAC
1-tert-butyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
English name
1-tert-Butyl-6-fluoro-7-(-3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-[ 1,8]naphthyridine-3-carboxylic acid
Molecular formula
C18H23FN4O3
Molecular weight
362.4

Names & synonyms

116162-95-91-tert-butyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acidPD 1630481-Tert-Butyl-6-Fluoro-7-(3-Methylpiperazin-1-yl-4-Oxo-1,8-Naphthyridine-3-Carboxylic Acid1-tert-Butyl-6-fluoro-7-(-3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-(1,8)naphthyridine-3-carboxylic acid1-tert-Butyl-6-fluoro-7-(-3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid1-tert-butyl-6-fluoro-7-(-3-methylpiperazin-1-yl)-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acidCHEMBL25807SCHEMBL9685551DTXSID809219411-tert-Butyl-6-fluoro-7-(-3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-[ 1,8]naphthyridine-3-carboxyli1-tert-Butyl-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
Show more names
1-tert-Butyl-6-fluoro-7-(-3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-[ 1,8]naphthyridine-3-carboxylic acid1,8-Naphthyridine-3-carboxylic acid, 1-(1,1-dimethylethyl)-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-
1,8-Naphthyridine-3-carboxylic acid,1-(1,1-dimethylethyl)-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
85.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
3
Heavy atoms
26
Formal charge
0
Complexity
618

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Compound notes

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Database identifiers

CAS
116162-95-9
PubChem CID
459970
DTXSID
DTXSID80921941
ChEMBL
CHEMBL25807
Nikkaji
J772.237K