7-Thienyl-3-quinolinecarbonitrile 11

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Basic information

Standard SMILES: COc1cc(Nc2c(C#N)cnc3cc(-c4ccsc4CN4CCOCC4)ccc23)c(Cl)cc1Cl
InChIKey: CHGLAMGWYPLNGB-UHFFFAOYSA-N
Molecular formula: C26H22Cl2N4O2S
Average molar mass: 525.4 g/mol

Names & identifiers

Preferred name: 7-Thienyl-3-quinolinecarbonitrile 11
IUPAC: 4-(2,4-dichloro-5-methoxyanilino)-7-[2-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile

Names & synonyms

7-thienyl-3-quinolinecarbonitrile 11BDBM6110CHEMBL303529SCHEMBL32324804-[(2,4-dichloro-5-methoxyphenyl)amino]-7-[2-(morpholin-4-ylmethyl)thiophen-3-yl]quinoline-3-carbonitrile

Database identifiers

PubChem CID: 5330097
ChEMBL: CHEMBL303529
Nikkaji: J1.764.529C

Properties

Computed structural properties

XLogP: 6
Topological polar surface area: 98.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 35
Formal charge: 0
Complexity: 750

Related reactions

1 records

New reaction record

HRID 135979As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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