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
- Formal charge
- 0
- Complexity
- 482
Related reactions
4 records
Compound notes
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