N-(5,6-dimethoxyquinolin-8-yl)-N'-propan-2-ylhexane-1,6-diamine;oxalic acid
Basic information
- CAS
5463-05-8- Standard SMILES
COc1cc(NCCCCCCNC(C)C)c2ncccc2c1OC.O=C(O)C(=O)O- InChIKey
DOQVHJDRXLCFNS-UHFFFAOYSA-N- Molecular formula
- C22H33N3O6
- Average molar mass
- 435.5 g/mol
- Monoisotopic mass
- 435.23693578
Names & identifiers
- Preferred name
- N-(5,6-dimethoxyquinolin-8-yl)-N'-propan-2-ylhexane-1,6-diamine;oxalic acid
- IUPAC
- N-(5,6-dimethoxyquinolin-8-yl)-N'-propan-2-ylhexane-1,6-diamine;oxalic acid
Names & synonyms
5463-05-8NSC13045DTXSID90969899NSC-13045Oxalic acid--N~1~-(5,6-dimethoxyquinolin-8-yl)-N~6~-(propan-2-yl)hexane-1,6-diamine (1/1)
Database identifiers
- CAS
5463-05-8- PubChem CID
- 224519
- DTXSID
DTXSID90969899
Properties
Computed structural properties
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 425
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