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

C19H18ClNO2 — CID 2182910

IUPAC8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline
SMILESCc1ccc(OCCOc2cccc3ccc(C)nc23)c(Cl)c1
InChIInChI=1S/C19H18ClNO2/c1-13-6-9-17(16(20)12-13)22-10-11-23-18-5-3-4-15-8-7-14(2)21-19(15)18/h3-9,12H,10-11H2,1-2H3
InChIKeyUYZSHLNKRGNSLU-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.96
Rot. Bonds5

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

8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline (PubChem CID 2182910) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is 8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline.

Molecular Properties

Compound Name8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline
PubChem CID2182910
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline
SMILESCc1ccc(OCCOc2cccc3ccc(C)nc23)c(Cl)c1
InChIInChI=1S/C19H18ClNO2/c1-13-6-9-17(16(20)12-13)22-10-11-23-18-5-3-4-15-8-7-14(2)21-19(15)18/h3-9,12H,10-11H2,1-2H3
InChIKeyUYZSHLNKRGNSLU-UHFFFAOYSA-N
XLogP4.96
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline
CID 2283062
8-[3-(4-bromo-2-chlorophenoxy)propoxy]-2-methylquinoline;oxalic acid
CID 2935736
8-[2-[2-(4-chloro-2-methylphenoxy)ethoxy]ethoxy]-2-methylquinoline
CID 2182613
8-[2-(4-chlorophenoxy)ethoxy]-2-methylquinoline
CID 2299353
8-[5-(2-chloro-4-methylphenoxy)pentan-2-yloxy]quinolin-2-amine
CID 22254589
8-[2-[2-(4-chloro-3-ethylphenoxy)ethoxy]ethoxy]-2-methylquinoline
CID 2183491
8-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]-2-methylquinoline
CID 2184547
4-(2-methylquinolin-8-yl)oxybutan-2-amine
CID 43169778
2-methyl-8-pent-4-ynoxyquinoline
CID 75395956
1-[2-[2-(2-methylquinolin-8-yl)oxyethoxy]phenyl]ethanone
CID 2994272
8-[(4-chloro-6-methylpyrimidin-2-yl)methoxy]-2-methylquinoline
CID 80656920
8-[(3,6-dichloro-2-pyridinyl)methoxy]-2-methylquinoline
CID 62886311

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline?
The IUPAC name of 8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline (CID 2182910) is 8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline.
What is the SMILES notation for 8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline?
The canonical SMILES for 8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline is Cc1ccc(OCCOc2cccc3ccc(C)nc23)c(Cl)c1.
What is the InChIKey of 8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline?
The InChIKey is UYZSHLNKRGNSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c1-13-6-9-17(16(20)12-13)22-10-11-23-18-5-3-4-15-8-7-14(2)21-19(15)18/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline?
8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline has a molecular weight of 327.81 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-chloro-4-methylphenoxy)ethoxy]-2-methylquinoline is sourced from PubChem (CID 2182910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).