Basic information
- Standard SMILES
COc1cc2nc(N3CCN(c4nccc(N(C)C)n4)CC3)cc(N)c2cc1OC.Cl.Cl.O.O- InChIKey
VEFOFCIPRBNXNF-UHFFFAOYSA-N- Molecular formula
- C21H33Cl2N7O4
- Average molar mass
- 518.4 g/mol
- Monoisotopic mass
- 517.1971079
Names & identifiers
- Preferred name
- 4-Amino-6,7-dimethoxy-2-[4-(4-dimethylaminopyrimidin-2-yl)piperazin-1-yl]quinoline dihydrochloride dihydrate
- IUPAC
- 2-[4-[4-(dimethylamino)pyrimidin-2-yl]piperazin-1-yl]-6,7-dimethoxyquinolin-4-amine;dihydrate;dihydrochloride
Names & synonyms
SCHEMBL10614741VEFOFCIPRBNXNF-UHFFFAOYSA-N4-amino-6,7-dimethoxy-2-[4-(4-dimethylamino-pyrimidin-2-yl)piperazin-1-yl]quinoline dihydrochloride dihydrate4-amino-6,7-dimethoxy-2-[4-(4-dimethylaminopyrimidin-2-yl)piperazin-1-yl]quinoline dihydrochloride dihydrate
Database identifiers
- PubChem CID
- 20131122
Properties
Computed structural properties
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 545
Related reactions
3 records
Linked notes
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