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

C21H22ClNO3 — CID 2182613

IUPAC8-[2-[2-(4-chloro-2-methylphenoxy)ethoxy]ethoxy]-2-methylquinoline
SMILESCc1ccc2cccc(OCCOCCOc3ccc(Cl)cc3C)c2n1
InChIInChI=1S/C21H22ClNO3/c1-15-14-18(22)8-9-19(15)25-12-10-24-11-13-26-20-5-3-4-17-7-6-16(2)23-21(17)20/h3-9,14H,10-13H2,1-2H3
InChIKeyKGXVOKYNVUWJJB-UHFFFAOYSA-N
MW371.86 g/mol
LogP4.98
Rot. Bonds8

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

8-[2-[2-(4-chloro-2-methylphenoxy)ethoxy]ethoxy]-2-methylquinoline (PubChem CID 2182613) has the molecular formula C21H22ClNO3 and a molecular weight of 371.86 g/mol. Its IUPAC name is 8-[2-[2-(4-chloro-2-methylphenoxy)ethoxy]ethoxy]-2-methylquinoline.

Molecular Properties

Compound Name8-[2-[2-(4-chloro-2-methylphenoxy)ethoxy]ethoxy]-2-methylquinoline
PubChem CID2182613
Molecular FormulaC21H22ClNO3
Molecular Weight371.86 g/mol
Exact Mass371.13
IUPAC Name8-[2-[2-(4-chloro-2-methylphenoxy)ethoxy]ethoxy]-2-methylquinoline
SMILESCc1ccc2cccc(OCCOCCOc3ccc(Cl)cc3C)c2n1
InChIInChI=1S/C21H22ClNO3/c1-15-14-18(22)8-9-19(15)25-12-10-24-11-13-26-20-5-3-4-17-7-6-16(2)23-21(17)20/h3-9,14H,10-13H2,1-2H3
InChIKeyKGXVOKYNVUWJJB-UHFFFAOYSA-N
XLogP4.98
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.86
LogP ≤ 54.98
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-(4-chlorophenoxy)ethoxy]-2-methylquinoline
CID 2299353
8-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]-2-methylquinoline
CID 2184547
8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline
CID 2182910
8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline
CID 2289108
8-[2-[2-(4-chloro-3-ethylphenoxy)ethoxy]ethoxy]-2-methylquinoline
CID 2183491
[5-chloro-2-(2-methylquinolin-8-yl)oxyphenyl]methanamine
CID 62493343
5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
CID 62493743
8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline
CID 2283062
2-methyl-8-pent-4-ynoxyquinoline
CID 75395956
4-(2-methylquinolin-8-yl)oxybutan-2-amine
CID 43169778
8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline
CID 80656920
1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone
CID 2994272

Frequently Asked Questions

What is the IUPAC name of 8-[2-[2-(4-chloro-2-methylphenoxy)ethoxy]ethoxy]-2-methylquinoline?
The IUPAC name of 8-[2-[2-(4-chloro-2-methylphenoxy)ethoxy]ethoxy]-2-methylquinoline (CID 2182613) is 8-[2-[2-(4-chloro-2-methylphenoxy)ethoxy]ethoxy]-2-methylquinoline.
What is the SMILES notation for 8-[2-[2-(4-chloro-2-methylphenoxy)ethoxy]ethoxy]-2-methylquinoline?
The canonical SMILES for 8-[2-[2-(4-chloro-2-methylphenoxy)ethoxy]ethoxy]-2-methylquinoline is Cc1ccc2cccc(OCCOCCOc3ccc(Cl)cc3C)c2n1.
What is the InChIKey of 8-[2-[2-(4-chloro-2-methylphenoxy)ethoxy]ethoxy]-2-methylquinoline?
The InChIKey is KGXVOKYNVUWJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClNO3/c1-15-14-18(22)8-9-19(15)25-12-10-24-11-13-26-20-5-3-4-17-7-6-16(2)23-21(17)20/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 8-[2-[2-(4-chloro-2-methylphenoxy)ethoxy]ethoxy]-2-methylquinoline?
8-[2-[2-(4-chloro-2-methylphenoxy)ethoxy]ethoxy]-2-methylquinoline has a molecular weight of 371.86 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[2-(4-chloro-2-methylphenoxy)ethoxy]ethoxy]-2-methylquinoline is sourced from PubChem (CID 2182613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).