3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-

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Basic information

CAS: 93107-34-7
Standard SMILES: CC1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC(C)N1
InChIKey: YTURORCTXHHHCR-UHFFFAOYSA-N
Molecular formula: C19H22FN3O3
Average molar mass: 359.4 g/mol
Monoisotopic mass: 359.16451973

Names & identifiers

Preferred name: 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-
IUPAC: 1-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid

Names & synonyms

PD15880493107-34-73-Quinolinecarboxylic acid, 1-cyclopropyl-7-(3,5-dimethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-CHEMBL15322SCHEMBL10817829DTXSID40918690YTURORCTXHHHCR-UHFFFAOYSA-NAKOS0254014541-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(3,5-dimethyl-1-piperazinyl)quinoline-3-carboxylic acid1-Cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidAC-180071-cyclopropyl-7-(3,5-dimethylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid

Show more names

1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(3,5-dimethyl-1-piperazinyl)-3-quinolinecarboxylic acid

Database identifiers

CAS: 93107-34-7
PubChem CID: 465552
DTXSID: DTXSID40918690
ChEMBL: CHEMBL15322
Nikkaji: J380.579D

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 72.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 3
Heavy atoms: 26
Formal charge: 0
Complexity: 626

Related reactions

3 records

New reaction record

HRID 196107As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 463697As productuspto-grants-1985_10

HRID 1284503As productuspto-grants-1986_01

Compound notes

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