Basic information
- CAS
82095-09-8- Standard SMILES
COc1cc(NCCCC(C)N)c2ncccc2c1OC.O=C(O)CCC(=O)O- InChIKey
RENASOKFJPOXCC-UHFFFAOYSA-N- Molecular formula
- C20H29N3O6
- Average molar mass
- 407.5 g/mol
- Monoisotopic mass
- 407.20563565
Names & identifiers
- Preferred name
- butanedioic acid;1-N-(5,6-dimethoxyquinolin-8-yl)pentane-1,4-diamine
- IUPAC
- butanedioic acid;1-N-(5,6-dimethoxyquinolin-8-yl)pentane-1,4-diamine
Names & synonyms
NSC30584482095-09-8DTXSID20316711NSC-305844DS-007317Butanedioic acid--N~1~-(5,6-dimethoxyquinolin-8-yl)pentane-1,4-diamine (1/1)
Database identifiers
- CAS
82095-09-8- PubChem CID
- 328166
- DTXSID
DTXSID20316711
Properties
Computed structural properties
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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