Basic information
- Standard SMILES
CN(C)CC(O)COc1ccc(Nc2nccc(N3CCCc4ccccc43)n2)cc1- InChIKey
ZSETXNXDCVHXMN-UHFFFAOYSA-N- Molecular formula
- C24H29N5O2
- Average molar mass
- 419.5 g/mol
Names & identifiers
- Preferred name
- 4-(1,2,3,4-Tetrahydroquinolin-1-yl)-2-{4-[2-hydroxy-3-(N,N-dimethylamino)propoxy]anilino}pyrimidine
- IUPAC
- 1-[4-[[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]phenoxy]-3-(dimethylamino)propan-2-ol
Names & synonyms
SCHEMBL6761554ZSETXNXDCVHXMN-UHFFFAOYSA-N4-(1,2,3,4-Tetrahydroquinolin-1-yl)-2-{4-[2-hydroxy-3-(N,N-dimethylamino)propoxy]anilino}pyrimidine
Database identifiers
- PubChem CID
- 22731925
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 528
Related reactions
1 records
Compound notes
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