2-{4-[2-(Quinoline-8-carboxamido)-ethyl]-phenyl}-propionic acid

HCID 23453055
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Basic information

Standard SMILES
CC(C(=O)O)c1ccc(CCNC(=O)c2cccc3cccnc23)cc1
InChIKey
YOAPKXCOMJJPNF-UHFFFAOYSA-N
Molecular formula
C21H20N2O3
Average molar mass
348.4 g/mol
Monoisotopic mass
348.1473925

Names & identifiers

Preferred name
2-{4-[2-(Quinoline-8-carboxamido)-ethyl]-phenyl}-propionic acid
IUPAC
2-[4-[2-(quinoline-8-carbonylamino)ethyl]phenyl]propanoic acid

Names & synonyms

SCHEMBL11353102YOAPKXCOMJJPNF-UHFFFAOYSA-N2-{4-[2-(quinoline-8-carboxamido)-ethyl]-phenyl}-propionic acid

Database identifiers

PubChem CID
23453055

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
79.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
26

Related reactions

2 records
New reaction record

Compound notes

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2-{4-[2-(Quinoline-8-carboxamido)-ethyl]-phenyl}-propionic acid (HCID 23453055)｜Huagongshe