8-[3-(2,4-dimethylphenoxy)propoxy]quinoline

C20H21NO2 — CID 3611795

IUPAC8-[3-(2,4-dimethylphenoxy)propoxy]quinoline
SMILESCc1ccc(OCCCOc2cccc3cccnc23)c(C)c1
InChIInChI=1S/C20H21NO2/c1-15-9-10-18(16(2)14-15)22-12-5-13-23-19-8-3-6-17-7-4-11-21-20(17)19/h3-4,6-11,14H,5,12-13H2,1-2H3
InChIKeyTVKAICMLOJCKGU-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.70
Rot. Bonds6

About 8-[3-(2,4-dimethylphenoxy)propoxy]quinoline

8-[3-(2,4-dimethylphenoxy)propoxy]quinoline (PubChem CID 3611795) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 8-[3-(2,4-dimethylphenoxy)propoxy]quinoline.

Molecular Properties

Compound Name8-[3-(2,4-dimethylphenoxy)propoxy]quinoline
PubChem CID3611795
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name8-[3-(2,4-dimethylphenoxy)propoxy]quinoline
SMILESCc1ccc(OCCCOc2cccc3cccnc23)c(C)c1
InChIInChI=1S/C20H21NO2/c1-15-9-10-18(16(2)14-15)22-12-5-13-23-19-8-3-6-17-7-4-11-21-20(17)19/h3-4,6-11,14H,5,12-13H2,1-2H3
InChIKeyTVKAICMLOJCKGU-UHFFFAOYSA-N
XLogP4.70
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.70
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-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline
CID 2289108
8-[2-[2-(2-chloro-4-methylphenoxy)ethoxy]ethoxy]quinoline
CID 2283062
3-[4-(2,4-dimethylphenoxy)butoxy]-2-methylaniline
CID 82097265
8-(6-chlorohexoxy)quinoline
CID 62228191
2-quinolin-8-yloxyethanamine
CID 17174906
8-(3-azidopropoxy)quinoline
CID 61396496
8-[2-(5-methyl-1H-pyrazol-3-yl)ethoxy]quinoline
CID 82088189
8-[4-(2-fluorophenoxy)butoxy]quinoline
CID 4302402
(4-methyl-2-quinolin-8-yloxyphenyl)methanamine
CID 62308165
quinolin-8-yl N-(2,4-dimethylphenyl)carbamate
CID 3307290
8-[4-(2,6-dichlorophenoxy)butoxy]quinoline
CID 2284830
8-(2-azidoethoxy)quinoline
CID 55137163

Frequently Asked Questions

What is the IUPAC name of 8-[3-(2,4-dimethylphenoxy)propoxy]quinoline?
The IUPAC name of 8-[3-(2,4-dimethylphenoxy)propoxy]quinoline (CID 3611795) is 8-[3-(2,4-dimethylphenoxy)propoxy]quinoline.
What is the SMILES notation for 8-[3-(2,4-dimethylphenoxy)propoxy]quinoline?
The canonical SMILES for 8-[3-(2,4-dimethylphenoxy)propoxy]quinoline is Cc1ccc(OCCCOc2cccc3cccnc23)c(C)c1.
What is the InChIKey of 8-[3-(2,4-dimethylphenoxy)propoxy]quinoline?
The InChIKey is TVKAICMLOJCKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-15-9-10-18(16(2)14-15)22-12-5-13-23-19-8-3-6-17-7-4-11-21-20(17)19/h3-4,6-11,14H,5,12-13H2,1-2H3.
What are the key properties of 8-[3-(2,4-dimethylphenoxy)propoxy]quinoline?
8-[3-(2,4-dimethylphenoxy)propoxy]quinoline has a molecular weight of 307.39 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2,4-dimethylphenoxy)propoxy]quinoline is sourced from PubChem (CID 3611795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).