Basic information
- Standard SMILES
Cc1c(-c2ccc(CN)cc2)ccn2c(=O)c(C(=O)O)cc(C3CC3)c12- InChIKey
XEKZSIVSJQOZLD-UHFFFAOYSA-N- Molecular formula
- C21H20N2O3
- Average molar mass
- 348.4 g/mol
Names & identifiers
- Preferred name
- 8-(4-aminomethylphenyl)-1-cyclopropyl-9-methyl-4-oxo-4H-quinolizine-3-carboxylic acid
- IUPAC
- 8-[4-(aminomethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylic acid
Names & synonyms
SCHEMBL1290213XEKZSIVSJQOZLD-UHFFFAOYSA-NDB-1411908-(4-aminomethylphenyl)-1-cyclopropyl-9-methyl-4-oxo-4H-quinolizine-3-carboxylic acid8-[4-(Aminomethyl)phenyl]-1-cyclopropyl-9-methyl-4-oxo-4H-quinolizine-3-carboxylic acid508224-33-7
Database identifiers
- PubChem CID
- 23019686
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 775
Related reactions
1 records
Compound notes
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