WR 30090

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Basic information

CAS: 19160-62-4
Standard SMILES: CCCCN(CCCC)CC(O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12
InChIKey: PGLJCSZNFGDTFZ-UHFFFAOYSA-N
Molecular formula: C25H28Cl4N2O
Average molar mass: 514.3 g/mol
Monoisotopic mass: 512.095574

Overview

RN given refers to parent cpd without isomeric designation; structure

Names & identifiers

Preferred name: WR 30090
IUPAC: 2-(dibutylamino)-1-[6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl]ethanol

Names & synonyms

19160-62-4WR 30090WR-300903J38HG7ES7NSC-1123656,8-Dichloro-alpha-((dibutylamino)methyl)-2-(3,4-dichlorophenyl)-4-quinolinemethanol6,8-Dichloro-2-(3',4'-dichlorophenyl)-alpha-(di-n-butylaminoethyl)-4-quinolinemethanol4-Quinolinemethanol, 6,8-dichloro-alpha-((dibutylamino)methyl)-2-(3,4-dichlorophenyl)-4-Quinolinemethanol, 6,8-dichloro-alpha-[(dibutylamino)methyl]-2-(3,4-dichlorophenyl)-RefChem:1950086,8-dichloro-2-(3',4'-dichlorophenyl)-alpha-(di-n-butylaminoethyl)-4-quinolinemethanol.HCl2-(Dibutylamino)-1-[6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl]ethanol

Show more names

alpha-(Dibutylaminomethyl)-6,8-dichloro-2-(3',4'-dichlorophenyl)-4-quinolinemethanol2-(Dibutylamino)-1-(6,8-dichloro-2-(3,4-dichlorophenyl)quinolin-4-yl)ethanolDTXSID701384179NSC 112365UNII-3J38HG7ES7orb3174535CHEMBL1995683SCHEMBL18343545

Database identifiers

CAS: 19160-62-4
PubChem CID: 31755
DTXSID: DTXSID701384179
ChEMBL: CHEMBL1995683
UNII: 3J38HG7ES7
Nikkaji: J395.376I

Properties

Computed structural properties

XLogP: 8.1
Topological polar surface area: 36.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 10
Heavy atoms: 32
Formal charge: 0
Complexity: 548

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Compound notes

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