Basic information
- Standard SMILES
CC(C)C(=O)N1CCN(C(=O)c2cccc(C3c4n[nH]c(=O)c5cccc(c45)NC3c3ccncc3)c2)CC1- InChIKey
TZXHLGONNRQYGL-UHFFFAOYSA-N- Molecular formula
- C30H30N6O3
- Average molar mass
- 522.6 g/mol
- Monoisotopic mass
- 522.23793884
Names & identifiers
- Preferred name
- 9-(3-(4-isobutyrylpiperazine-1-carbonyl)phenyl)-8-(pyridin-4-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
- IUPAC
- 12-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]-11-pyridin-4-yl-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
Names & synonyms
SCHEMBL2315298TZXHLGONNRQYGL-UHFFFAOYSA-N9-(3-(4-isobutyrylpiperazine-1-carbonyl)phenyl)-8-(pyridin-4-yl)-8,9-dihydro-2H-pyrido[4,3,2-de]phthalazin-3(7H)-one
Database identifiers
- PubChem CID
- 136385261
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 970
Related reactions
3 records
Compound notes
Loading…