Basic information
- CAS
5423-86-9- Standard SMILES
CC(CCN1CCOCC1)Nc1ccnc2cc(Cl)ccc12.O=P(O)(O)O- InChIKey
SRAYOYYHLIZMIF-UHFFFAOYSA-N- Molecular formula
- C17H25ClN3O5P
- Average molar mass
- 417.8 g/mol
- Monoisotopic mass
- 417.1220356
Names & identifiers
- Preferred name
- Phosphoric acid--7-chloro-N-[4-(morpholin-4-yl)butan-2-yl]quinolin-4-amine (1/1)
- IUPAC
- 7-chloro-N-(4-morpholin-4-ylbutan-2-yl)quinolin-4-amine;phosphoric acid
Names & synonyms
5423-86-9DTXSID80714870NSC13262NSC-13262Phosphoric acid--7-chloro-N-[4-(morpholin-4-yl)butan-2-yl]quinolin-4-amine (1/1)
Database identifiers
- CAS
5423-86-9- PubChem CID
- 54609282
- DTXSID
DTXSID80714870
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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