3-(6-Nitro-quinolin-2-yl)-3,8-diaza-bicyclo[3.2.1]octane-8-carboxylic Acid Tert-Butyl Ester

HCID 68683083
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1C2CCC1CN(c1ccc3cc([N+](=O)[O-])ccc3n1)C2
InChIKey
KKWUBPUTXZLWLD-UHFFFAOYSA-N
Molecular formula
C20H24N4O4
Average molar mass
384.4 g/mol
Monoisotopic mass
384.17975526

Names & identifiers

Preferred name
3-(6-Nitro-quinolin-2-yl)-3,8-diaza-bicyclo[3.2.1]octane-8-carboxylic Acid Tert-Butyl Ester
IUPAC
tert-butyl 3-(6-nitroquinolin-2-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

Names & synonyms

SCHEMBL3542103KKWUBPUTXZLWLD-UHFFFAOYSA-N3-(6-Nitro-quinolin-2-yl)-3,8-diaza-bicyclo[3.2.1]octane-8-carboxylic Acid Tert-Butyl Ester

Database identifiers

PubChem CID
68683083

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
91.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
28

Related reactions

4 records
New reaction record

Linked notes

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