4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-N-(6-ethoxy-3-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
Basic information
- CAS
5426-26-6- Standard SMILES
CCOc1ccc2ncc(C)c(NC(C)CCCN(CC)CC)c2c1.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O- InChIKey
JHPMQPQKEOTXBV-UHFFFAOYSA-N- Molecular formula
- C44H49N3O7
- Average molar mass
- 731.9 g/mol
- Monoisotopic mass
- 731.35705091
Names & identifiers
- Preferred name
- 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-N-(6-ethoxy-3-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
- IUPAC
- 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-N-(6-ethoxy-3-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
Names & synonyms
5426-26-6NSC14059DTXSID00279759NSC-140594,4'-Methylenebis(3-hydroxynaphthalene-2-carboxylic acid)--N~4~-(6-ethoxy-3-methylquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine (1/1)
Database identifiers
- CAS
5426-26-6- PubChem CID
- 225017
- DTXSID
DTXSID00279759
Properties
Computed structural properties
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 930
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…