4-Quinolineamine, 7-chloro-N-(5-diethylaminopent-2-yl)-2-(5-nitro-2-furylvinyl)-, phosphate (1:3)
Basic information
- CAS
31432-71-0- Standard SMILES
CCN(CC)CCCC(C)Nc1cc(/C=C/c2ccc([N+](=O)[O-])o2)nc2cc(Cl)ccc12.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O- InChIKey
NPBSMBFCVFGVBO-WCVSPGPUSA-N- Molecular formula
- C24H38ClN4O15P3
- Average molar mass
- 750.9 g/mol
- Monoisotopic mass
- 750.1235052
Names & identifiers
- Preferred name
- 4-Quinolineamine, 7-chloro-N-(5-diethylaminopent-2-yl)-2-(5-nitro-2-furylvinyl)-, phosphate (1:3)
- IUPAC
- 4-N-[7-chloro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid
Names & synonyms
4-Quinolineamine, 7-chloro-N-(5-diethylaminopent-2-yl)-2-(5-nitro-2-furylvinyl)-, phosphate (1:3)31432-71-0RefChem:1071581
Database identifiers
- CAS
31432-71-0- PubChem CID
- 6444962
Properties
Computed structural properties
- Topological polar surface area
- 320 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 10
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 662
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