(RS)-1-cyclopropyl-3-ethoxycarbonyl-7,9-difluoro-8-(3-methyl-1-piperazinyl)-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine

HCID 20063285

Notes Reactions

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Basic information

Standard SMILES: CCOC(=O)c1cn(C2CC2)c2nc3c(F)c(N4CCNC(C)C4)c(F)cc3cc2c1=O
InChIKey: LFPBONFIEKFNKE-UHFFFAOYSA-N
Molecular formula: C23H24F2N4O3
Average molar mass: 442.5 g/mol
Monoisotopic mass: 442.18164696

Names & identifiers

Preferred name: (RS)-1-cyclopropyl-3-ethoxycarbonyl-7,9-difluoro-8-(3-methyl-1-piperazinyl)-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine
IUPAC: ethyl 1-cyclopropyl-7,9-difluoro-8-(3-methylpiperazin-1-yl)-4-oxobenzo[b][1,8]naphthyridine-3-carboxylate

Names & synonyms

SCHEMBL9775893LFPBONFIEKFNKE-UHFFFAOYSA-N(RS)-1-cyclopropyl-3-ethoxycarbonyl-7,9-difluoro-8-(3-methyl-1-piperazinyl)-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine

Database identifiers

PubChem CID: 20063285

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 74.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 5
Heavy atoms: 32
Formal charge: 0
Complexity: 791

Related reactions

2 records

New reaction record

HRID 206614As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1084415As productuspto-grants-1991_04

Compound notes

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