Basic information
- Standard SMILES
Cc1noc(C)c1Nc1c([N+](=O)[O-])cnc2ccc(Br)cc12- InChIKey
MRVXVEVEVSGXQX-UHFFFAOYSA-N- Molecular formula
- C14H11BrN4O3
- Average molar mass
- 363.17 g/mol
Names & identifiers
- Preferred name
- (6-Bromo-3-nitro-quinolin-4-yl)-(3,5-dimethyl-isoxazol-4-yl)-amine
- IUPAC
- N-(6-bromo-3-nitroquinolin-4-yl)-3,5-dimethyl-1,2-oxazol-4-amine
Names & synonyms
SCHEMBL2067209MRVXVEVEVSGXQX-UHFFFAOYSA-N(6-Bromo-3-nitro-quinolin-4-yl)-(3,5-dimethyl-isoxazol-4-yl)-amine
Database identifiers
- PubChem CID
- 59620045
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 421
Related reactions
2 records
Compound notes
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