8-(4-((4-Ethyl-3-methylpiperazin-1-yl)methyl)phenyl)-9-phenyl-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCN1CCN(Cc2ccc(C3Nc4cccc5c(=O)[nH]nc(c45)C3c3ccccc3)cc2)CC1C- InChIKey
ABBFNDUPPGZAAV-UHFFFAOYSA-N- Molecular formula
- C30H33N5O
- Average molar mass
- 479.6 g/mol
- Monoisotopic mass
- 479.26851069
Names & identifiers
- Preferred name
- 8-(4-((4-Ethyl-3-methylpiperazin-1-yl)methyl)phenyl)-9-phenyl-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
- IUPAC
- 11-[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]phenyl]-12-phenyl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
Names & synonyms
SCHEMBL2051028ABBFNDUPPGZAAV-UHFFFAOYSA-N8-(4-((4-Ethyl-3-methylpiperazin-1-yl)methyl)phenyl)-9-phenyl-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
Database identifiers
- PubChem CID
- 136368549
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 801
Related reactions
3 records
Compound notes
Loading…