2-heptyl-4-quinolone

CHEBI:62219 ·resolve ·ANTIBACTERIAL ·EXACT SEEDED

A quinolone consisting of quinolin-4(1H)-one carrying a heptyl substituent at position 2. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:23765 CHEBI:23765

Chemical structure

Computed structure properties
Molecular formula	C16H21NO
Charge	0
Average mass	243.35 Da
Monoisotopic mass	243.16231 Da
Source	ChEBI
InChIKey	UYRHHBXYXSYGHA-UHFFFAOYSA-N

SMILES

CCCCCCCc1cc(=O)c2ccccc2n1

InChI

InChI=1S/C16H21NO/c1-2-3-4-5-6-9-13-12-16(18)14-10-7-8-11-15(14)17-13/h7-8,10-12H,2-6,9H2,1H3,(H,17,18)

Also called

2-heptylquinolin-4(1H)-one (EXACT_SYNONYM)— chebi
2-heptyl-1H-quinolin-4-one (EXACT_SYNONYM)— chebi
2-heptyl-4(1H)-quinolone (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:1529939

Activity roles

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

CHEBI:33282 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
CHEBI	`CHEBI:62219`	2-heptyl-4-quinolone	`antibioticmech:chebi-a9be2766fb`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

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