Basic information
- CAS
444576-78-7- Standard SMILES
O=[N+]([O-])c1nccn1CCCNc1ccnc2cc(Cl)ccc12- InChIKey
PDSVGSZYJOFNPR-UHFFFAOYSA-N- Molecular formula
- C15H14ClN5O2
- Average molar mass
- 331.76 g/mol
- Monoisotopic mass
- 331.0836024
Names & identifiers
- Preferred name
- 7-chloro-N-[3-(2-nitroimidazol-1-yl)propyl]quinolin-4-amine
- IUPAC
- 7-chloro-N-[3-(2-nitroimidazol-1-yl)propyl]quinolin-4-amine
Names & synonyms
NLCQ1 free baseNLCQ-1 free baseLUY9PTQ3XUUNII-LUY9PTQ3XU7-chloro-N-[3-(2-nitroimidazol-1-yl)propyl]quinolin-4-amine444576-78-74-Quinolinamine, 7-chloro-N-(3-(2-nitro-1H-imidazol-1-yl)propyl)-4-Quinolinamine, 7-chloro-N-[3-(2-nitro-1H-imidazol-1-yl)propyl]-NCI60_038568SCHEMBL4178535CHEMBL1963336NSC 709257
Show more names
4-[3-(2-Nitroimidazolyl-1-)propylamino]-7-chloroquinoline4-[3-(2-nitro-1-imidazolyl)-propylamino]-7-chloroquinoline
Database identifiers
- CAS
444576-78-7- PubChem CID
- 398940
- ChEMBL
CHEMBL1963336- UNII
- LUY9PTQ3XU
- Nikkaji
- J1.638.803C
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…