Basic information
- Standard SMILES
COC(=O)c1cc(C2CC2)c2c(C)c(-c3ccc(N)c(Cl)c3)ccn2c1=O- InChIKey
HQJSABVZEYTTLX-UHFFFAOYSA-N- Molecular formula
- C21H19ClN2O3
- Average molar mass
- 382.8 g/mol
Names & identifiers
- Preferred name
- methyl 8-(4-amino-3-chloro-phenyl)-1-cyclopropyl-9-methyl-4-oxo-4H-quinolizine-3-carboxylate
- IUPAC
- methyl 8-(4-amino-3-chlorophenyl)-1-cyclopropyl-9-methyl-4-oxoquinolizine-3-carboxylate
Names & synonyms
SCHEMBL1290304HQJSABVZEYTTLX-UHFFFAOYSA-Nmethyl 8-(4-amino-3-chloro-phenyl)-1-cyclopropyl-9-methyl-4-oxo-4H-quinolizine-3-carboxylate
Database identifiers
- PubChem CID
- 86696554
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 819
Related reactions
2 records
Compound notes
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