2H-Pyrazolo(4,3-c)quinoline-4-ethanamine, 2-(2-benzothiazolyl)-7-chloro-N-propyl-
Basic information
- CAS
177406-35-8- Standard SMILES
CCCNCCc1nc2cc(Cl)ccc2c2nn(-c3nc4ccccc4s3)cc12- InChIKey
RKZDGJSIPXTMSO-UHFFFAOYSA-N- Molecular formula
- C22H20ClN5S
- Average molar mass
- 421.9 g/mol
- Monoisotopic mass
- 421.1127945
Names & identifiers
- Preferred name
- 2H-Pyrazolo(4,3-c)quinoline-4-ethanamine, 2-(2-benzothiazolyl)-7-chloro-N-propyl-
- IUPAC
- N-[2-[2-(1,3-benzothiazol-2-yl)-7-chloropyrazolo[4,3-c]quinolin-4-yl]ethyl]propan-1-amine
Names & synonyms
2H-Pyrazolo(4,3-c)quinoline-4-ethanamine, 2-(2-benzothiazolyl)-7-chloro-N-propyl-2-(2-Benzothiazolyl)-7-chloro-N-propyl-2H-pyrazolo(4,3-c)quinoline-4-ethanamine177406-35-87-Chloro-2-(benzothiazol-2-yl)-4-(2-(N-propylamino)ethyl)-2H-pyrazolo(4,3-c)quinolineDTXSID90170302RefChem:268981DTXCID5092793N-{2-[2-(1,3-Benzothiazol-2-yl)-7-chloro-2H-pyrazolo[4,3-c]quinolin-4-yl]ethyl}propan-1-amine
Database identifiers
- CAS
177406-35-8- PubChem CID
- 3075352
- DTXSID
DTXSID90170302
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 553
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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