3-[4-(3-ethoxyphenoxy)butyl]quinoline

C21H23NO2 — CID 173263735

IUPAC3-[4-(3-ethoxyphenoxy)butyl]quinoline
SMILESCCOc1cccc(OCCCCc2cnc3ccccc3c2)c1
InChIInChI=1S/C21H23NO2/c1-2-23-19-10-7-11-20(15-19)24-13-6-5-8-17-14-18-9-3-4-12-21(18)22-16-17/h3-4,7,9-12,14-16H,2,5-6,8,13H2,1H3
InChIKeyJUDXRDJTQYERKA-UHFFFAOYSA-N
MW321.42 g/mol
LogP5.04
Rot. Bonds8

About 3-[4-(3-ethoxyphenoxy)butyl]quinoline

3-[4-(3-ethoxyphenoxy)butyl]quinoline (PubChem CID 173263735) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-[4-(3-ethoxyphenoxy)butyl]quinoline.

Molecular Properties

Compound Name3-[4-(3-ethoxyphenoxy)butyl]quinoline
PubChem CID173263735
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name3-[4-(3-ethoxyphenoxy)butyl]quinoline
SMILESCCOc1cccc(OCCCCc2cnc3ccccc3c2)c1
InChIInChI=1S/C21H23NO2/c1-2-23-19-10-7-11-20(15-19)24-13-6-5-8-17-14-18-9-3-4-12-21(18)22-16-17/h3-4,7,9-12,14-16H,2,5-6,8,13H2,1H3
InChIKeyJUDXRDJTQYERKA-UHFFFAOYSA-N
XLogP5.04
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 55.04
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

3-(3-ethoxypropyl)quinoline
CID 91801315
3-(2-phenoxyethyl)quinoline
CID 54129983
O-(3-quinolin-3-ylpropyl)hydroxylamine
CID 54489779
(3-ethoxyphenyl)-quinolin-3-ylmethanol
CID 60924190
5-octyl-2-[4-[6-[3-[6-[4-(5-octylpyrimidin-2-yl)phenoxy]hexoxy]phenoxy]hexoxy]phenyl]pyrimidine
CID 101382006
azane;1-ethoxy-3-pentoxybenzene
CID 68858003
1-(4-bromobutoxy)-3-ethoxybenzene
CID 62338454
2-quinolin-3-ylethanol
CID 53403774
1-(5-chloropentoxy)-3-ethoxybenzene
CID 62338455
2-methyl-N-(3-quinolin-3-ylpropyl)propan-2-amine
CID 64506111
N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide
CID 110745516
3-(3,3-dimethylbutyl)quinoline
CID 58808300

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-ethoxyphenoxy)butyl]quinoline?
The IUPAC name of 3-[4-(3-ethoxyphenoxy)butyl]quinoline (CID 173263735) is 3-[4-(3-ethoxyphenoxy)butyl]quinoline.
What is the SMILES notation for 3-[4-(3-ethoxyphenoxy)butyl]quinoline?
The canonical SMILES for 3-[4-(3-ethoxyphenoxy)butyl]quinoline is CCOc1cccc(OCCCCc2cnc3ccccc3c2)c1.
What is the InChIKey of 3-[4-(3-ethoxyphenoxy)butyl]quinoline?
The InChIKey is JUDXRDJTQYERKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-2-23-19-10-7-11-20(15-19)24-13-6-5-8-17-14-18-9-3-4-12-21(18)22-16-17/h3-4,7,9-12,14-16H,2,5-6,8,13H2,1H3.
What are the key properties of 3-[4-(3-ethoxyphenoxy)butyl]quinoline?
3-[4-(3-ethoxyphenoxy)butyl]quinoline has a molecular weight of 321.42 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-ethoxyphenoxy)butyl]quinoline is sourced from PubChem (CID 173263735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).