4-(2,4-Dichloro-5-methoxyanilino)-7-methoxy-8-[2-(4-methyl-1-piperazinyl)ethoxy]benzo[g]quinoline-3-carbonitrile

HCID 5330438
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(Nc2c(C#N)cnc3cc4cc(OCCN5CCN(C)CC5)c(OC)cc4cc23)c(Cl)cc1Cl
InChIKey
XYLOWGGIQOWLJG-UHFFFAOYSA-N
Molecular formula
C29H29Cl2N5O3
Average molar mass
566.5 g/mol
Monoisotopic mass
565.1647452

Names & identifiers

Preferred name
4-(2,4-Dichloro-5-methoxyanilino)-7-methoxy-8-[2-(4-methyl-1-piperazinyl)ethoxy]benzo[g]quinoline-3-carbonitrile
IUPAC
4-(2,4-dichloro-5-methoxyanilino)-7-methoxy-8-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[g]quinoline-3-carbonitrile

Names & synonyms

BDBM6472CHEMBL198650SCHEMBL5251926XYLOWGGIQOWLJG-UHFFFAOYSA-N4-(2,4-dichloro-5-methoxyanilino)-7-methoxy-8-[2-(4-methyl-1-piperazinyl)ethoxy]benzo[g]quinoline-3-carbonitrile4-[(2,4-dichloro-5-methoxyphenyl)amino]-7-methoxy-8-[2-(4-methylpiperazin-1-yl)ethoxy]benzo[g]quinoline-3-carbonitrile

Database identifiers

PubChem CID
5330438
ChEMBL
CHEMBL198650

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
82.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
39

Related reactions

2 records
New reaction record

Linked notes

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