7-Thienyl-3-quinolinecarbonitrile 12

HCID 5330098
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Basic information

Standard SMILES
COc1cc(Nc2c(C#N)cnc3cc(-c4cscc4CN4CCOCC4)ccc23)c(Cl)cc1Cl
InChIKey
SIVTVGGSRVEJCD-UHFFFAOYSA-N
Molecular formula
C26H22Cl2N4O2S
Average molar mass
525.4 g/mol

Names & identifiers

Preferred name
7-Thienyl-3-quinolinecarbonitrile 12
IUPAC
4-(2,4-dichloro-5-methoxyanilino)-7-[4-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile

Names & synonyms

7-thienyl-3-quinolinecarbonitrile 12CHEMBL61967BDBM6111SCHEMBL32277264-[(2,4-dichloro-5-methoxyphenyl)amino]-7-[4-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile

Database identifiers

PubChem CID
5330098
ChEMBL
CHEMBL61967
Nikkaji
J1.764.530G

Properties

Computed structural properties

XLogP
6
Topological polar surface area
98.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
35

Related reactions

1 records
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Compound notes

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