Basic information
- Standard SMILES
COC(=O)c1cc(C2CC2)c2c(C)c(-c3ccc(CNC(=O)OC(C)(C)C)cc3)ccn2c1=O- InChIKey
MMQQCZIOXMQXGW-UHFFFAOYSA-N- Molecular formula
- C27H30N2O5
- Average molar mass
- 462.5 g/mol
- Monoisotopic mass
- 462.21547206
Names & identifiers
- Preferred name
- methyl 8-(4-(((tert-butoxycarbonyl)-amino)-methyl)-phenyl)-1-cyclopropyl-9-methyl-4-oxo-4H-quinolizine-3-carboxylate
- IUPAC
- methyl 1-cyclopropyl-9-methyl-8-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-4-oxoquinolizine-3-carboxylate
Names & synonyms
SCHEMBL1290161MMQQCZIOXMQXGW-UHFFFAOYSA-Nmethyl 8-(4-(((tert-butoxycarbonyl)-amino)-methyl)-phenyl)-1-cyclopropyl-9-methyl-4-oxo-4H-quinolizine-3-carboxylate
Database identifiers
- PubChem CID
- 86696571
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 999
Related reactions
2 records
Compound notes
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