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

C20H20ClNO3 — CID 2283062

IUPAC8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline
SMILESCc1ccc(OCCOCCOc2cccc3cccnc23)c(Cl)c1
InChIInChI=1S/C20H20ClNO3/c1-15-7-8-18(17(21)14-15)24-12-10-23-11-13-25-19-6-2-4-16-5-3-9-22-20(16)19/h2-9,14H,10-13H2,1H3
InChIKeyKVIJQUFEFBSDFB-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.67
Rot. Bonds8

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

8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline (PubChem CID 2283062) has the molecular formula C20H20ClNO3 and a molecular weight of 357.84 g/mol. Its IUPAC name is 8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline.

Molecular Properties

Compound Name8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline
PubChem CID2283062
Molecular FormulaC20H20ClNO3
Molecular Weight357.84 g/mol
Exact Mass357.11
IUPAC Name8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline
SMILESCc1ccc(OCCOCCOc2cccc3cccnc23)c(Cl)c1
InChIInChI=1S/C20H20ClNO3/c1-15-7-8-18(17(21)14-15)24-12-10-23-11-13-25-19-6-2-4-16-5-3-9-22-20(16)19/h2-9,14H,10-13H2,1H3
InChIKeyKVIJQUFEFBSDFB-UHFFFAOYSA-N
XLogP4.67
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline
CID 2182910
8-[3-(2,4-dimethylphenoxy)propoxy]quinoline
CID 3611795
8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline
CID 2284547
8-[2-(2,6-dichlorophenoxy)ethoxy]quinoline
CID 2283916
8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline
CID 2289108
2-chloro-4-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 121390824
8-[2-(4-bromophenoxy)ethoxy]quinoline
CID 2289161
8-[4-(2,6-dichlorophenoxy)butoxy]quinoline
CID 2284830
8-[[2-(chloromethyl)-4-methylphenoxy]methyl]quinoline
CID 63325423
8-[2-[2-(4-chloro-2-methylphenoxy)ethoxy]ethoxy]-2-methylquinoline
CID 2182613
8-(6-chlorohexoxy)quinoline
CID 62228191
(4-methyl-2-quinolin-8-yloxyphenyl)methanamine
CID 62308165

Frequently Asked Questions

What is the IUPAC name of 8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline?
The IUPAC name of 8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline (CID 2283062) is 8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline.
What is the SMILES notation for 8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline?
The canonical SMILES for 8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline is Cc1ccc(OCCOCCOc2cccc3cccnc23)c(Cl)c1.
What is the InChIKey of 8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline?
The InChIKey is KVIJQUFEFBSDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClNO3/c1-15-7-8-18(17(21)14-15)24-12-10-23-11-13-25-19-6-2-4-16-5-3-9-22-20(16)19/h2-9,14H,10-13H2,1H3.
What are the key properties of 8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline?
8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline has a molecular weight of 357.84 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline is sourced from PubChem (CID 2283062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).