2-(1-(Tert-butoxycarbonylamino)ethyl)-6-fluoro-3-(pyridin-2-yl)quinoline-4-carboxylic acid

HCID 59634680
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Basic information

Standard SMILES
CC(NC(=O)OC(C)(C)C)c1nc2ccc(F)cc2c(C(=O)O)c1-c1ccccn1
InChIKey
AVOAWIMMQKTGOZ-UHFFFAOYSA-N
Molecular formula
C22H22FN3O4
Average molar mass
411.4 g/mol
Monoisotopic mass
411.15943435

Names & identifiers

Preferred name
2-(1-(Tert-butoxycarbonylamino)ethyl)-6-fluoro-3-(pyridin-2-yl)quinoline-4-carboxylic acid
IUPAC
6-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-pyridin-2-ylquinoline-4-carboxylic acid

Names & synonyms

SCHEMBL2717170AVOAWIMMQKTGOZ-UHFFFAOYSA-N2-(1-(tert-butoxycarbonylamino)ethyl)-6-fluoro-3-(pyridin-2-yl)quinoline-4-carboxylic acid

Database identifiers

PubChem CID
59634680

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
101 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
30

Related reactions

2 records
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Compound notes

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