AntibioticMech

BAR0329

CHEBI:79384 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A member of the class of quinolines that is 2-methoixyquinoline carrying additional 4-chlorobenzyl and (4-carboxamidinopiperidin-1-yl)methyl substituents at positions 3 and 6 respectively. — ChEBI

Classification

Strictly broader compounds or drug classes this molecule belongs to.

• CHEBI:24436 CHEBI:24436
• CHEBI:26144 CHEBI:26144
• CHEBI:26513 CHEBI:26513
• CHEBI:35618 CHEBI:35618
• CHEBI:83403 CHEBI:83403

Chemical structure

Computed structure properties

Molecular formula	C23H26ClN5O
Charge	0
Average mass	423.948 Da
Monoisotopic mass	423.18259 Da
Source	ChEBI
InChIKey	MPNSEMULLQLQCF-UHFFFAOYSA-N

SMILES

COc1nc2ccc(CN3CCN(C(=N)N)CC3)cc2cc1Cc1ccc(Cl)cc1

InChI

InChI=1S/C23H26ClN5O/c1-30-22-19(12-16-2-5-20(24)6-3-16)14-18-13-17(4-7-21(18)27-22)15-28-8-10-29(11-9-28)23(25)26/h2-7,13-14H,8-12,15H2,1H3,(H3,25,26)

Also called

• 4-{[3-(4-chlorobenzyl)-2-methoxyquinolin-6-yl]methyl}piperazine-1-carboximidamide (EXACT_SYNONYM)— chebi

Activity roles

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

• CHEBI:35718 CHEBI:35718

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:79384	BAR0329	antibioticmech:chebi-e17fc4b9ca	2026-08-30

Curation history

1. SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Seeded from data/raw/ inventories (CHEBI)

2. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

3. 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.