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3-(2-(Quinolin-5-yl)acetamido)thiophene-2-carboxamide

HCID 68756372
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
NC(=O)c1sccc1NC(=O)Cc1cccc2ncccc12
InChIKey
MPULSAAVBKSHLL-UHFFFAOYSA-N
Molecular formula
C16H13N3O2S
Average molar mass
311.4 g/mol

Names & identifiers

Preferred name
3-(2-(Quinolin-5-yl)acetamido)thiophene-2-carboxamide
IUPAC
3-[(2-quinolin-5-ylacetyl)amino]thiophene-2-carboxamide

Names & synonyms

SCHEMBL3713799MPULSAAVBKSHLL-UHFFFAOYSA-N3-(2-(Quinolin-5-yl)acetamido)thiophene-2-carboxamide

Database identifiers

PubChem CID
68756372

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
113 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
Formal charge
0
Complexity
432

Related reactions

3 records
New reaction record
HRID 1519772 reaction equation
HRID 1519772As productuspto-grants-2015_07
HRID 2097985 reaction equation
HRID 2097985As productuspto-grants-2013_05
HRID 2134961 reaction equation
HRID 2134961As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes