8-(3-Bromophenylamino)[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile

HCID 5328883

Basic information

Standard SMILES
N#Cc1cnc2cc3c(cc2c1Nc1cccc(Br)c1)OCO3
InChIKey
AVKRWJGYHFZIQI-UHFFFAOYSA-N
Molecular formula
C17H10BrN3O2
Average molar mass
368.2 g/mol

Names & identifiers

Preferred name
8-(3-Bromophenylamino)[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
IUPAC
8-(3-bromoanilino)-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile

Names & synonyms

BDBM4488CHEMBL110062SCHEMBL6381361AVKRWJGYHFZIQI-UHFFFAOYSA-N8-(3-Bromophenylamino)[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile8-[(3-bromophenyl)amino]-[1,3]-dioxolo[4,5-g]quinoline-7-carbonitrile8-[(3-bromophenyl)amino]-2H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile

Database identifiers

PubChem CID
5328883
ChEMBL
CHEMBL110062

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
67.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
23

Related reactions

4 records

Compound notes

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