Basic information
- CAS
5430-93-3- Standard SMILES
CCN(CC)CCCSCCCNc1cc(OC)cc2cccnc12.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
NRDIOXKKTAQMBV-UHFFFAOYSA-N- Molecular formula
- C26H39N3O8S
- Average molar mass
- 553.7 g/mol
- Monoisotopic mass
- 553.24578638
Names & identifiers
- Preferred name
- N-[3-[3-(diethylamino)propylsulfanyl]propyl]-6-methoxyquinolin-8-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
- IUPAC
- N-[3-[3-(diethylamino)propylsulfanyl]propyl]-6-methoxyquinolin-8-amine;2-hydroxypropane-1,2,3-tricarboxylic acid
Names & synonyms
5430-93-3NSC13460DTXSID80969363NSC-13460DS-002272N-[3-(3-diethylaminopropylsulfanyl)propyl]-6-methoxy-quinolin-8-amine2-Hydroxypropane-1,2,3-tricarboxylic acid--N-(3-{[3-(diethylamino)propyl]sulfanyl}propyl)-6-methoxyquinolin-8-amine (1/1)
Database identifiers
- CAS
5430-93-3- PubChem CID
- 224732
- DTXSID
DTXSID80969363
Properties
Computed structural properties
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 17
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 568
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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