8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline

C20H20ClNO2 — CID 2289108

IUPAC8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline
SMILESCc1cc(Cl)ccc1OCCCCOc1cccc2cccnc12
InChIInChI=1S/C20H20ClNO2/c1-15-14-17(21)9-10-18(15)23-12-2-3-13-24-19-8-4-6-16-7-5-11-22-20(16)19/h4-11,14H,2-3,12-13H2,1H3
InChIKeyPRLIUHPXMDSYBW-UHFFFAOYSA-N
MW341.84 g/mol
LogP5.43
Rot. Bonds7

About 8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline

8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline (PubChem CID 2289108) has the molecular formula C20H20ClNO2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline.

Molecular Properties

Compound Name8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline
PubChem CID2289108
Molecular FormulaC20H20ClNO2
Molecular Weight341.84 g/mol
Exact Mass341.12
IUPAC Name8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline
SMILESCc1cc(Cl)ccc1OCCCCOc1cccc2cccnc12
InChIInChI=1S/C20H20ClNO2/c1-15-14-17(21)9-10-18(15)23-12-2-3-13-24-19-8-4-6-16-7-5-11-22-20(16)19/h4-11,14H,2-3,12-13H2,1H3
InChIKeyPRLIUHPXMDSYBW-UHFFFAOYSA-N
XLogP5.43
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.84
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[4-(4-chloro-2-methylphenoxy)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-[3-(2,4-dimethylphenoxy)propoxy]quinoline
CID 3611795
8-(6-chlorohexoxy)quinoline
CID 62228191
8-[2-[2-(4-chloro-2-methylphenoxy)ethoxy]ethoxy]-2-methylquinoline
CID 2182613
8-[4-(2,6-dichlorophenoxy)butoxy]quinoline
CID 2284830
4-chloro-1-(4-chlorobutoxy)-2-methylbenzene
CID 12928638
8-[4-(2-fluorophenoxy)butoxy]quinoline
CID 4302402
8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline
CID 2283062
8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline
CID 2284547
2-quinolin-8-yloxyethanamine
CID 17174906
8-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 114847000
8-[2-(2,6-dichlorophenoxy)ethoxy]quinoline
CID 2283916
quinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate
CID 4114016

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline?
The IUPAC name of 8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline (CID 2289108) is 8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline.
What is the SMILES notation for 8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline?
The canonical SMILES for 8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline is Cc1cc(Cl)ccc1OCCCCOc1cccc2cccnc12.
What is the InChIKey of 8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline?
The InChIKey is PRLIUHPXMDSYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO2/c1-15-14-17(21)9-10-18(15)23-12-2-3-13-24-19-8-4-6-16-7-5-11-22-20(16)19/h4-11,14H,2-3,12-13H2,1H3.
What are the key properties of 8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline?
8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline has a molecular weight of 341.84 g/mol, XLogP of 5.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline is sourced from PubChem (CID 2289108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).