8-Chloro-7-{4-[(cyclohexylamino)carbonyl]piperidin-1-yl}-1-cyclopropyl-n-(2,4-dichlorobenzyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxamide

HCID 57780928
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Basic information

Standard SMILES
O=C(NCc1ccc(Cl)cc1Cl)c1cn(C2CC2)c2c(Cl)c(N3CCC(C(=O)NC4CCCCC4)CC3)c(F)cc2c1=O
InChIKey
XXSJQASUBBEKOW-UHFFFAOYSA-N
Molecular formula
C32H34Cl3FN4O3
Average molar mass
648 g/mol
Monoisotopic mass
646.168052

Names & identifiers

Preferred name
8-Chloro-7-{4-[(cyclohexylamino)carbonyl]piperidin-1-yl}-1-cyclopropyl-n-(2,4-dichlorobenzyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxamide
IUPAC
8-chloro-7-[4-(cyclohexylcarbamoyl)piperidin-1-yl]-1-cyclopropyl-N-[(2,4-dichlorophenyl)methyl]-6-fluoro-4-oxoquinoline-3-carboxamide

Names & synonyms

SCHEMBL1973757XXSJQASUBBEKOW-UHFFFAOYSA-N8-chloro-7-{4-[(cyclohexylamino)carbonyl]piperidin-1-yl}-1-cyclopropyl-n-(2,4-dichlorobenzyl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxamide

Database identifiers

PubChem CID
57780928

Properties

Computed structural properties

XLogP
7.5
Topological polar surface area
81.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
43

Related reactions

1 records
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Linked notes

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