Phenylmethyl [((3R,4R)-4-hydroxy-1-{2-[7-(methyloxy)-2-oxo-1(2H)-quinolinyl]ethyl}-3-pyrrolidinyl)methyl]carbamate

HCID 86635331
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Basic information

Standard SMILES
COc1ccc2ccc(=O)n(CCN3C[C@@H](CNC(=O)OCc4ccccc4)[C@@H](O)C3)c2c1
InChIKey
NTDUDQFYCXZDMB-OFNKIYASSA-N
Molecular formula
C25H29N3O5
Average molar mass
451.5 g/mol
Monoisotopic mass
451.21072103

Names & identifiers

Preferred name
Phenylmethyl [((3R,4R)-4-hydroxy-1-{2-[7-(methyloxy)-2-oxo-1(2H)-quinolinyl]ethyl}-3-pyrrolidinyl)methyl]carbamate
IUPAC
benzyl N-[[(3R,4R)-4-hydroxy-1-[2-(7-methoxy-2-oxoquinolin-1-yl)ethyl]pyrrolidin-3-yl]methyl]carbamate

Names & synonyms

NTDUDQFYCXZDMB-OFNKIYASSA-NPhenylmethyl [((3R,4R)-4-hydroxy-1-{2-[7-(methyloxy)-2-oxo-1(2H)-quinolinyl]ethyl}-3-pyrrolidinyl)methyl]carbamate

Database identifiers

PubChem CID
86635331

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
91.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
33

Related reactions

2 records
New reaction record

Compound notes

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