Basic information
- Standard SMILES
COc1cnc2c(c1)CCCC2NCc1ccc(CN(Cc2ccccn2)C(=O)OC(C)(C)C)cc1- InChIKey
FPLXRBUROYSBHV-UHFFFAOYSA-N- Molecular formula
- C29H36N4O3
- Average molar mass
- 488.6 g/mol
Names & identifiers
- Preferred name
- {4-[(3-Methoxy-5,6,7,8-tetrahydroquinolin-8-ylamino)-methyl]-benzyl}-pyridin-2-ylmethyl-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[[4-[[(3-methoxy-5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)carbamate
Names & synonyms
SCHEMBL4069323FPLXRBUROYSBHV-UHFFFAOYSA-N{4-[(3-methoxy-5,6,7,8-tetrahydroquinolin-8-ylamino)-methyl]-benzyl}-pyridin-2-ylmethyl-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68900149
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 676
Related reactions
4 records
Linked notes
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