tert-butyl (1-(2-(5-bromo-7-methoxy-2-oxoquinolin-1(2H)-yl)ethyl)piperidin-4-yl)(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate
Basic information
- Standard SMILES
COc1cc(Br)c2ccc(=O)n(CCN3CCC(N(Cc4ccc5c(c4)OCCO5)C(=O)OC(C)(C)C)CC3)c2c1- InChIKey
JYFSQQUPBFRUNZ-UHFFFAOYSA-N- Molecular formula
- C31H38BrN3O6
- Average molar mass
- 628.6 g/mol
- Monoisotopic mass
- 627.1944
Names & identifiers
- Preferred name
- tert-butyl (1-(2-(5-bromo-7-methoxy-2-oxoquinolin-1(2H)-yl)ethyl)piperidin-4-yl)(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate
- IUPAC
- tert-butyl N-[1-[2-(5-bromo-7-methoxy-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate
Names & synonyms
SCHEMBL2799184JYFSQQUPBFRUNZ-UHFFFAOYSA-Ntert-butyl (1-(2-(5-bromo-7-methoxy-2-oxoquinolin-1(2H)-yl)ethyl)piperidin-4-yl)(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamatetert-butyl(1-(2-(5-bromo-7-methoxy-2-oxoquinolin-1(2H)-yl)ethyl)piperidin-4- yl)(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamatetert-butyl(1-(2-(5-bromo-7-methoxy-2-oxoquinolin-1(2H)-yl)ethyl)piperidin-4-yl)(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)carbamate
Database identifiers
- PubChem CID
- 59397948
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 935
Related reactions
9 records
Compound notes
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