3-{4-Hydroxy-3-((4-methylpiperazin-1-yl)methyl)benzyl}benzo(g)quinolin-4(1H)-one
Basic information
- CAS
127136-40-7- Standard SMILES
CN1CCN(Cc2cc(Cc3c[nH]c4cc5ccccc5cc4c3=O)ccc2O)CC1- InChIKey
XGWOBGNVJLRKCS-UHFFFAOYSA-N- Molecular formula
- C26H27N3O2
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.21032711
Names & identifiers
- Preferred name
- 3-{4-Hydroxy-3-((4-methylpiperazin-1-yl)methyl)benzyl}benzo(g)quinolin-4(1H)-one
- IUPAC
- 3-[[4-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1H-benzo[g]quinolin-4-one
Names & synonyms
3-{4-Hydroxy-3-((4-methylpiperazin-1-yl)methyl)benzyl}benzo(g)quinolin-4(1H)-one127136-40-7DTXSID20155425AKOS024362954ST509941363-({4-Hydroxy-3-[(4-methylpiperazin-1-yl)methyl]phenyl}methyl)benzo[g]quinolin-4(1H)-one3-({4-hydroxy-3-[(4-methylpiperazinyl)methyl]phenyl}methyl)benzo[g]quinolin-4- ol
Database identifiers
- CAS
127136-40-7- PubChem CID
- 182799
- DTXSID
DTXSID20155425
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 672
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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