8-[4-(2,6-dichlorophenoxy)butoxy]quinoline

C19H17Cl2NO2 — CID 2284830

IUPAC8-[4-(2,6-dichlorophenoxy)butoxy]quinoline
SMILESClc1cccc(Cl)c1OCCCCOc1cccc2cccnc12
InChIInChI=1S/C19H17Cl2NO2/c20-15-8-4-9-16(21)19(15)24-13-2-1-12-23-17-10-3-6-14-7-5-11-22-18(14)17/h3-11H,1-2,12-13H2
InChIKeyORNZCAKPFDCZOE-UHFFFAOYSA-N
MW362.26 g/mol
LogP5.78
Rot. Bonds7

About 8-[4-(2,6-dichlorophenoxy)butoxy]quinoline

8-[4-(2,6-dichlorophenoxy)butoxy]quinoline (PubChem CID 2284830) has the molecular formula C19H17Cl2NO2 and a molecular weight of 362.26 g/mol. Its IUPAC name is 8-[4-(2,6-dichlorophenoxy)butoxy]quinoline.

Molecular Properties

Compound Name8-[4-(2,6-dichlorophenoxy)butoxy]quinoline
PubChem CID2284830
Molecular FormulaC19H17Cl2NO2
Molecular Weight362.26 g/mol
Exact Mass361.06
IUPAC Name8-[4-(2,6-dichlorophenoxy)butoxy]quinoline
SMILESClc1cccc(Cl)c1OCCCCOc1cccc2cccnc12
InChIInChI=1S/C19H17Cl2NO2/c20-15-8-4-9-16(21)19(15)24-13-2-1-12-23-17-10-3-6-14-7-5-11-22-18(14)17/h3-11H,1-2,12-13H2
InChIKeyORNZCAKPFDCZOE-UHFFFAOYSA-N
XLogP5.78
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.26
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-[4-(2,6-dichlorophenoxy)butoxy]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[2-(2,6-dichlorophenoxy)ethoxy]quinoline
CID 2283916
8-(6-chlorohexoxy)quinoline
CID 62228191
8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline
CID 2289108
8-[4-(2-fluorophenoxy)butoxy]quinoline
CID 4302402
8-[(2-chlorophenyl)methoxy]quinoline
CID 2110324
2-quinolin-8-yloxyethanamine
CID 17174906
8-(chloromethoxy)quinoline
CID 79531226
8-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]quinoline
CID 50943740
5-chloro-8-(5-chloropentoxy)quinoline
CID 43348411
5-chloro-8-(6-chlorohexoxy)quinoline
CID 55193642
2-quinolin-8-yloxyethylhydrazine
CID 82126133
8-(3-azidopropoxy)quinoline
CID 61396496

Frequently Asked Questions

What is the IUPAC name of 8-[4-(2,6-dichlorophenoxy)butoxy]quinoline?
The IUPAC name of 8-[4-(2,6-dichlorophenoxy)butoxy]quinoline (CID 2284830) is 8-[4-(2,6-dichlorophenoxy)butoxy]quinoline.
What is the SMILES notation for 8-[4-(2,6-dichlorophenoxy)butoxy]quinoline?
The canonical SMILES for 8-[4-(2,6-dichlorophenoxy)butoxy]quinoline is Clc1cccc(Cl)c1OCCCCOc1cccc2cccnc12.
What is the InChIKey of 8-[4-(2,6-dichlorophenoxy)butoxy]quinoline?
The InChIKey is ORNZCAKPFDCZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO2/c20-15-8-4-9-16(21)19(15)24-13-2-1-12-23-17-10-3-6-14-7-5-11-22-18(14)17/h3-11H,1-2,12-13H2.
What are the key properties of 8-[4-(2,6-dichlorophenoxy)butoxy]quinoline?
8-[4-(2,6-dichlorophenoxy)butoxy]quinoline has a molecular weight of 362.26 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2,6-dichlorophenoxy)butoxy]quinoline is sourced from PubChem (CID 2284830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).