Basic information
- CAS
5431-05-0- Standard SMILES
CCN(CC)CCCC(C)Nc1ccnc2cc(Oc3ccccc3)ccc12.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
KZZWBYVWADVNFZ-UHFFFAOYSA-N- Molecular formula
- C30H39N3O8
- Average molar mass
- 569.6 g/mol
- Monoisotopic mass
- 569.27371521
Names & identifiers
- Preferred name
- 1-N,1-N-diethyl-4-N-(7-phenoxyquinolin-4-yl)pentane-1,4-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid
- IUPAC
- 1-N,1-N-diethyl-4-N-(7-phenoxyquinolin-4-yl)pentane-1,4-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Names & synonyms
NSC134795431-05-0NSC-13479DS-011773N,n-diethyl-n-(7-phenoxyquinolin-4-yl)pentane-1,4-diamine
Database identifiers
- CAS
5431-05-0- PubChem CID
- 224741
Properties
Computed structural properties
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 15
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 649
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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