Basic information
- Standard SMILES
COC(=O)c1ccc2nc(CC(C)C)c(CNC(=O)OC(C)(C)C)c(-c3ccc(C)cc3)c2c1- InChIKey
DJDGAAIPHIJBKH-UHFFFAOYSA-N- Molecular formula
- C28H34N2O4
- Average molar mass
- 462.6 g/mol
Names & identifiers
- Preferred name
- Methyl 3-{[(tert-butoxycarbonyl)amino]methyl}-2-isobutyl-4-(4-methylphenyl)quinoline-6-carboxylate
- IUPAC
- methyl 4-(4-methylphenyl)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)quinoline-6-carboxylate
Names & synonyms
SCHEMBL3902192DJDGAAIPHIJBKH-UHFFFAOYSA-Nmethyl 3-{[(tert-butoxycarbonyl)amino]methyl}-2-isobutyl-4-(4-methylphenyl)quinoline-6-carboxylate
Database identifiers
- PubChem CID
- 68831784
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 680
Related reactions
2 records
Compound notes
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