8-[2-[2-(4-chloro-3-ethylphenoxy)ethoxy]ethoxy]-2-methylquinoline

C22H24ClNO3 — CID 2183491

IUPAC8-[2-[2-(4-chloro-3-ethylphenoxy)ethoxy]ethoxy]-2-methylquinoline
SMILESCCc1cc(OCCOCCOc2cccc3ccc(C)nc23)ccc1Cl
InChIInChI=1S/C22H24ClNO3/c1-3-17-15-19(9-10-20(17)23)26-13-11-25-12-14-27-21-6-4-5-18-8-7-16(2)24-22(18)21/h4-10,15H,3,11-14H2,1-2H3
InChIKeyPDWATDJUAUKAKS-UHFFFAOYSA-N
MW385.89 g/mol
LogP5.23
Rot. Bonds9

About 8-[2-[2-(4-chloro-3-ethylphenoxy)ethoxy]ethoxy]-2-methylquinoline

8-[2-[2-(4-chloro-3-ethylphenoxy)ethoxy]ethoxy]-2-methylquinoline (PubChem CID 2183491) has the molecular formula C22H24ClNO3 and a molecular weight of 385.89 g/mol. Its IUPAC name is 8-[2-[2-(4-chloro-3-ethylphenoxy)ethoxy]ethoxy]-2-methylquinoline.

Molecular Properties

Compound Name8-[2-[2-(4-chloro-3-ethylphenoxy)ethoxy]ethoxy]-2-methylquinoline
PubChem CID2183491
Molecular FormulaC22H24ClNO3
Molecular Weight385.89 g/mol
Exact Mass385.14
IUPAC Name8-[2-[2-(4-chloro-3-ethylphenoxy)ethoxy]ethoxy]-2-methylquinoline
SMILESCCc1cc(OCCOCCOc2cccc3ccc(C)nc23)ccc1Cl
InChIInChI=1S/C22H24ClNO3/c1-3-17-15-19(9-10-20(17)23)26-13-11-25-12-14-27-21-6-4-5-18-8-7-16(2)24-22(18)21/h4-10,15H,3,11-14H2,1-2H3
InChIKeyPDWATDJUAUKAKS-UHFFFAOYSA-N
XLogP5.23
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.89
LogP ≤ 55.23
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-(4-chloro-2-methylphenoxy)ethoxy]ethoxy]-2-methylquinoline
CID 2182613
8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline
CID 2182910
8-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]-2-methylquinoline
CID 2184547
8-[4-(4-methoxy-2-prop-2-enylphenoxy)butoxy]-2-methylquinoline
CID 2183511
1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone
CID 2994272
8-[2-[2-(3-chlorophenoxy)ethoxy]ethoxy]quinoline
CID 2284547
8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline
CID 62886311
4-[4-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]sulfonylmorpholine
CID 25337050
8-[3-(4-bromo-2-chlorophenoxy)propoxy]-2-methylquinoline;oxalic acid
CID 2935736
1-(2-methylquinolin-8-yl)oxybutan-2-one
CID 62040414
3-[2-(4-chloro-3-ethylphenoxy)ethoxy]benzonitrile
CID 43289881

Frequently Asked Questions

What is the IUPAC name of 8-[2-[2-(4-chloro-3-ethylphenoxy)ethoxy]ethoxy]-2-methylquinoline?
The IUPAC name of 8-[2-[2-(4-chloro-3-ethylphenoxy)ethoxy]ethoxy]-2-methylquinoline (CID 2183491) is 8-[2-[2-(4-chloro-3-ethylphenoxy)ethoxy]ethoxy]-2-methylquinoline.
What is the SMILES notation for 8-[2-[2-(4-chloro-3-ethylphenoxy)ethoxy]ethoxy]-2-methylquinoline?
The canonical SMILES for 8-[2-[2-(4-chloro-3-ethylphenoxy)ethoxy]ethoxy]-2-methylquinoline is CCc1cc(OCCOCCOc2cccc3ccc(C)nc23)ccc1Cl.
What is the InChIKey of 8-[2-[2-(4-chloro-3-ethylphenoxy)ethoxy]ethoxy]-2-methylquinoline?
The InChIKey is PDWATDJUAUKAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClNO3/c1-3-17-15-19(9-10-20(17)23)26-13-11-25-12-14-27-21-6-4-5-18-8-7-16(2)24-22(18)21/h4-10,15H,3,11-14H2,1-2H3.
What are the key properties of 8-[2-[2-(4-chloro-3-ethylphenoxy)ethoxy]ethoxy]-2-methylquinoline?
8-[2-[2-(4-chloro-3-ethylphenoxy)ethoxy]ethoxy]-2-methylquinoline has a molecular weight of 385.89 g/mol, XLogP of 5.23, 9 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-3-ethylphenoxy)ethoxy]ethoxy]-2-methylquinoline is sourced from PubChem (CID 2183491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).