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8-[(4-Chloro-5-methoxy-2-methylphenyl)amino]thiazolo[4,5-g]quinoline-7-carbonitrile

HCID 10177833
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(Nc2c(C#N)cnc3cc4scnc4cc23)c(C)cc1Cl
InChIKey
YZSASXWJGRZFDI-UHFFFAOYSA-N
Molecular formula
C19H13ClN4OS
Average molar mass
380.9 g/mol

Names & identifiers

Preferred name
8-[(4-Chloro-5-methoxy-2-methylphenyl)amino]thiazolo[4,5-g]quinoline-7-carbonitrile
IUPAC
8-(4-chloro-5-methoxy-2-methylanilino)-[1,3]thiazolo[4,5-g]quinoline-7-carbonitrile

Names & synonyms

SCHEMBL5252756YZSASXWJGRZFDI-UHFFFAOYSA-N8-[(4-Chloro-5-methoxy-2-methylphenyl)amino]thiazolo[4,5-g]quinoline-7-carbonitrile

Database identifiers

PubChem CID
10177833

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
99.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
26
Formal charge
0
Complexity
557

Related reactions

2 records
New reaction record
HRID 989318 reaction equation
HRID 989318As productuspto-grants-2003_10
HRID 2317279 reaction equation
HRID 2317279As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes