N4-[5-(4-chlorophenyl)sulfanyl-6-methoxy-8-quinolyl]pentane-1,4-diamine

HCID 328151

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 57514-38-2
Standard SMILES: COc1cc(NC(C)CCCN)c2ncccc2c1Sc1ccc(Cl)cc1
InChIKey: ASBAZZCYURIEJD-UHFFFAOYSA-N
Molecular formula: C21H24ClN3OS
Average molar mass: 402 g/mol
Monoisotopic mass: 401.1328613

Names & identifiers

Preferred name: N4-[5-(4-chlorophenyl)sulfanyl-6-methoxy-8-quinolyl]pentane-1,4-diamine
IUPAC: 4-N-[5-(4-chlorophenyl)sulfanyl-6-methoxyquinolin-8-yl]pentane-1,4-diamine

Names & synonyms

NSC305813CHEMBL3302488NSC-305813N4-[5-(4-chlorophenyl)sulfanyl-6-methoxy-8-quinolyl]pentane-1,4-diamineN4-[5-(4-Chloro-phenylsulfanyl)-6-methoxy-quinolin-8-yl]-pentane-1,4-diamine

Database identifiers

CAS: 57514-38-2
PubChem CID: 328151
ChEMBL: CHEMBL3302488
Nikkaji: J557.320C

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 85.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 27
Formal charge: 0
Complexity: 436

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…