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Basic information
- Standard SMILES
Cn1c2ccccc2c2c(CC(=O)N3CCCC3)nn(-c3ccccc3)c(=O)c21- InChIKey
JOJFFFHUQBCTQM-UHFFFAOYSA-N- Molecular formula
- C23H22N4O2
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.17427596
Names & identifiers
- Preferred name
- 1-[2-(5-Methyl-4-oxo-3-phenyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-1-yl)-1-oxoethyl]pyrrolidine
- IUPAC
- 5-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-phenylpyridazino[4,5-b]indol-4-one
Names & synonyms
SCHEMBL7501779JOJFFFHUQBCTQM-UHFFFAOYSA-N1-[2-(5-Methyl-4-oxo-3-phenyl-3,5-dihydro-4H-pyridazino[4,5-b]indol-1-yl)-1-oxoethyl]pyrrolidine
Database identifiers
- PubChem CID
- 21183751
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 680
Related reactions
2 records
Compound notes
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