Methyl 4-cyano-2-(2-(isoquinolin-5-yl)acetamido)thiophene-3-carboxylate

HCID 59636642
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Basic information

Standard SMILES
COC(=O)c1c(C#N)csc1NC(=O)Cc1cccc2cnccc12
InChIKey
XHTGFSVWZRYGTD-UHFFFAOYSA-N
Molecular formula
C18H13N3O3S
Average molar mass
351.4 g/mol

Names & identifiers

Preferred name
Methyl 4-cyano-2-(2-(isoquinolin-5-yl)acetamido)thiophene-3-carboxylate
IUPAC
methyl 4-cyano-2-[(2-isoquinolin-5-ylacetyl)amino]thiophene-3-carboxylate

Names & synonyms

SCHEMBL3712673SCHEMBL29456092XHTGFSVWZRYGTD-UHFFFAOYSA-Nmethyl 4-cyano-2-(2-(isoquinolin-5-yl)acetamido)thiophene-3-carboxylate

Database identifiers

PubChem CID
59636642

Properties

Computed structural properties

XLogP
3
Topological polar surface area
120 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
25

Related reactions

3 records
New reaction record

Compound notes

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