Basic information
- Standard SMILES
CC(C)OCCCNc1c(N)cnc2cc(Br)ccc12- InChIKey
ZAXAZSVZGOSUSX-UHFFFAOYSA-N- Molecular formula
- C15H20BrN3O
- Average molar mass
- 338.24 g/mol
- Monoisotopic mass
- 337.07897
Names & identifiers
- Preferred name
- 7-bromo-N4-(3-isopropoxypropyl)quinoline-3,4-diamine
- IUPAC
- 7-bromo-4-N-(3-propan-2-yloxypropyl)quinoline-3,4-diamine
Names & synonyms
SCHEMBL4524933ZAXAZSVZGOSUSX-UHFFFAOYSA-N7-bromo-N4-(3-isopropoxypropyl)quinoline-3,4-diamine
Database identifiers
- PubChem CID
- 69078733
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 290
Related reactions
5 records
Compound notes
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