4-Amino-6,7-dimethoxy-2-[4-(4-dimethylaminopyrimidin-2-yl)piperazin-1-yl]quinoline dihydrochloride dihydrate

HCID 20131122

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

Related reactions

3 records

Linked notes

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