4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-N-(8-chloro-3-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
Basic information
- CAS
5432-48-4- Standard SMILES
CCN(CC)CCCC(C)Nc1c(C)cnc2c(Cl)cccc12.O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O- InChIKey
MOPSMPWJDKAIEN-UHFFFAOYSA-N- Molecular formula
- C42H44ClN3O6
- Average molar mass
- 722.3 g/mol
- Monoisotopic mass
- 721.2918638
Names & identifiers
- Preferred name
- 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;4-N-(8-chloro-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-(8-chloro-3-methylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
Names & synonyms
SS/777NSC13448NSC-134485432-48-4
Database identifiers
- CAS
5432-48-4- PubChem CID
- 224726
Properties
Computed structural properties
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 903
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