Ethyl 8-chloro-1-[3,5-difluoro-6-(p-methoxybenzylamino)pyridin-2-yl]-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

HCID 15434902

Basic information

Standard SMILES
CCOC(=O)c1cn(-c2nc(NCc3ccc(OC)cc3)c(F)cc2F)c2c(Cl)c(F)c(F)cc2c1=O
InChIKey
GCBBQKDMXIPTDJ-UHFFFAOYSA-N
Molecular formula
C25H18ClF4N3O4
Average molar mass
535.9 g/mol
Monoisotopic mass
535.0921964

Names & identifiers

Preferred name
Ethyl 8-chloro-1-[3,5-difluoro-6-(p-methoxybenzylamino)pyridin-2-yl]-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
IUPAC
ethyl 8-chloro-1-[3,5-difluoro-6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-6,7-difluoro-4-oxoquinoline-3-carboxylate

Names & synonyms

SCHEMBL7171539GCBBQKDMXIPTDJ-UHFFFAOYSA-Nethyl 8-chloro-1-[3,5-difluoro-6-(p-methoxybenzylamino)pyridin-2-yl]-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate

Database identifiers

PubChem CID
15434902

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
80.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
11
Rotatable bonds
8
Heavy atoms
37

Related reactions

6 records

Compound notes

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