Methyl 5-isoquinolyloxyacetate

HCID 453435
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Basic information

Standard SMILES
COC(=O)COc1cccc2cnccc12
InChIKey
PZBFHKDYYCMTPK-UHFFFAOYSA-N
Molecular formula
C12H11NO3
Average molar mass
217.22 g/mol

Names & identifiers

Preferred name
Methyl 5-isoquinolyloxyacetate
IUPAC
methyl 2-isoquinolin-5-yloxyacetate

Names & synonyms

methyl 5-isoquinolyloxyacetate(5-Isoquinolinyloxy)acetic acid, methyl esterSCHEMBL7870247PZBFHKDYYCMTPK-UHFFFAOYSA-Nmethyl 2-(5-isoquinolyloxy)acetate

Database identifiers

PubChem CID
453435

Properties

Computed structural properties

XLogP
2
Topological polar surface area
48.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
16

Related reactions

6 records
New reaction record

Compound notes

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