IP-antibiotic 4

antibioticmech:curator-811a417697 ·ANTIBACTERIAL ·MINTED PROPOSED

A 5,7-dichloro-8-hydroxyquinoline hexanamide with antibacterial activity against multidrug-resistant Neisseria gonorrhoeae. — DOI:10.1021/acsinfecdis.5c00812

Chemical structure

Computed structure properties
Molecular formula	C15H16Cl2N2O2
Charge	0
Average mass	327.21 Da
Monoisotopic mass	326.058883112 Da
Source	https://pmc.ncbi.nlm.nih.gov/articles/PMC12797230/ · retrieved 2026-09-10
InChIKey	SSXGEVPIXTZCAB-UHFFFAOYSA-N

SMILES

CCCCCC(=O)Nc1ccc2c(Cl)cc(Cl)c(O)c2n1

InChI

InChI=1S/C15H16Cl2N2O2/c1-2-3-4-5-13(20)18-12-7-6-9-10(16)8-11(17)15(21)14(9)19-12/h6-8,21H,2-5H2,1H3,(H,18,19,20)

Also called

compound 4 (EXACT_SYNONYM)— curator
N-(5,7-Dichloro-8-hydroxyquinolin-2-yl)hexanamide (EXACT_SYNONYM)— curator

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

antibacterial agent CHEBI:33282

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version	Evidence
CURATOR	`DOI:10.1021/acsinfecdis.5c00812#4`	IP-antibiotic 4	`antibioticmech:curator-811a417697`	2026-09-10	DOI:10.1021/acsinfecdis.5c00812 — "Jen et al. synthesized 12 IP-antibiotic candidates and reported that compound 4 inhibited multidrug-resistant Neisseria gonorrhoeae WHO Z with a MIC of 5 mg/L in the preliminary Table 1 assay." (Table 1 supplies the exact 5,7-dichloro-8-hydroxyquinoline hexanamide structure for compound 4, and the experimental section names it as N-(5,7-Dichloro-8-hydroxyquinolin-2-yl)hexanamide. The structure was normalized with RDKit to derive the standard InChI and InChIKey.)

Curation history

PROPOSED_FROM_CURATOR_INVENTORY 2026-09-11 · seed_from_sources
Proposed from curation/curator_antibiotics.tsv

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record (YAML).

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