Basic information
- CAS
5418-55-3- Standard SMILES
CC(C)CNCCCNc1ccnc2cc(Cl)ccc12- InChIKey
VPQZVXHFPVTVSO-UHFFFAOYSA-N- Molecular formula
- C16H22ClN3
- Average molar mass
- 291.82 g/mol
- Monoisotopic mass
- 291.1502254
Names & identifiers
- Preferred name
- N'-(7-chloroquinolin-4-yl)-N-(2-methylpropyl)propane-1,3-diamine
- IUPAC
- N'-(7-chloroquinolin-4-yl)-N-(2-methylpropyl)propane-1,3-diamine
Names & synonyms
5418-55-3NSC10487SCHEMBL30817041DTXSID30969136NSC-10487N~1~-(7-Chloroquinolin-4-yl)-N~3~-(2-methylpropyl)propane-1,3-diamine
Database identifiers
- CAS
5418-55-3- PubChem CID
- 223166
- DTXSID
DTXSID30969136
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 37 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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