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4-(2-Chloro-5-methoxy-4-methylanilino)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile

HCID 10278912
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(Nc2c(C#N)cnc3cc(-c4csc(CN5CCOCC5)c4)ccc23)c(Cl)cc1C
InChIKey
CRHINRLFWQHZEA-UHFFFAOYSA-N
Molecular formula
C27H25ClN4O2S
Average molar mass
505 g/mol
Monoisotopic mass
504.1386749

Names & identifiers

Preferred name
4-(2-Chloro-5-methoxy-4-methylanilino)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile
IUPAC
4-(2-chloro-5-methoxy-4-methylanilino)-7-[5-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile

Names & synonyms

SCHEMBL3221098

Database identifiers

PubChem CID
10278912

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
98.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
35
Formal charge
0
Complexity
746

Related reactions

1 records
New reaction record
HRID 2328931 reaction equation
HRID 2328931As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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