N-(1,3-benzodioxol-5-yl)-7-chloroquinolin-4-amine (CHEBI:228699)

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CHEBI:228699 - N-(1,3-benzodioxol-5-yl)-7-chloroquinolin-4-amine

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ChEBI ID	CHEBI:228699
ChEBI Name	N-(1,3-benzodioxol-5-yl)-7-chloroquinolin-4-amine
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Submitter	MetaboLights
Downloads	Molfile

Formula	C16H11ClN2O2
Net Charge	0
Average Mass	298.729
Monoisotopic Mass	298.05091
SMILES	Clc1ccc2c(Nc3ccc4c(c3)OCO4)ccnc2c1
InChI	InChI=1S/C16H11ClN2O2/c17-10-1-3-12-13(5-6-18-14(12)7-10)19-11-2-4-15-16(8-11)21-9-20-15/h1-8H,9H2,(H,18,19)
InChIKey	UWSPBYIZLDIQHB-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	urine (BTO:0001419)	MetaboLights (MTBLS8662)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	N-(1,3-benzodioxol-5-yl)-7-chloroquinolin-4-amine (CHEBI:228699) is a aminoquinoline (CHEBI:36709)

IUPAC Name
N-(1,3-benzodioxol-5-yl)-7-chloroquinolin-4-amine

Manual Xrefs	Databases
2101915	ChemSpider