Basic information
- Standard SMILES
CN1CCN(C2(CNCc3cc4ccccc4n(C)c3=O)CCC=COC2)CC1- InChIKey
DHFNBKLPJWWHDB-UHFFFAOYSA-N- Molecular formula
- C23H32N4O2
- Average molar mass
- 396.5 g/mol
Names & identifiers
- Preferred name
- 1-Methyl-3-[({[3-(4-methylpiperazin-1-yl)-2,3,4,5-tetrahydrooxepin-3-yl]methyl}amino)methyl]quinolin-2(1H)-one
- IUPAC
- 1-methyl-3-[[[3-(4-methylpiperazin-1-yl)-4,5-dihydro-2H-oxepin-3-yl]methylamino]methyl]quinolin-2-one
Names & synonyms
SCHEMBL2405977DHFNBKLPJWWHDB-UHFFFAOYSA-N1-Methyl-3-[({[3-(4-methylpiperazin-1-yl)-2,3,4,5-tetrahydrooxepin-3-yl]methyl}amino)methyl]quinolin-2(1H)-one
Database identifiers
- PubChem CID
- 58415951
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 641
Related reactions
4 records
Compound notes
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