N-(7-chloroquinolin-4-yl)-n,n-diethyl-hexane-1,5-diamine
Basic information
- CAS
5430-89-7- Standard SMILES
CCN(CC)CCCCC(C)Nc1ccnc2cc(Cl)ccc12- InChIKey
MXGGYCYYCOWYGB-UHFFFAOYSA-N- Molecular formula
- C19H28ClN3
- Average molar mass
- 333.9 g/mol
- Monoisotopic mass
- 333.1971756
Names & identifiers
- Preferred name
- N-(7-chloroquinolin-4-yl)-n,n-diethyl-hexane-1,5-diamine
- IUPAC
- 5-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylhexane-1,5-diamine
Names & synonyms
CHEMBL423184NSC13447SCHEMBL17640854BDBM50408768NSC-134475430-89-7DS-011644N-(7-chloroquinolin-4-yl)-n,n-diethyl-hexane-1,5-diamine
Database identifiers
- CAS
5430-89-7- PubChem CID
- 224725
- ChEMBL
CHEMBL423184- Nikkaji
- J1.215.475E
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 322
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