2-[[3-[2-(2-methoxycyclopentyl)ethyl]phenoxy]methyl]quinoline

C24H27NO2 — CID 54104151

IUPAC2-[[3-[2-(2-methoxycyclopentyl)ethyl]phenoxy]methyl]quinoline
SMILESCOC1CCCC1CCc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C24H27NO2/c1-26-24-11-5-8-20(24)13-12-18-6-4-9-22(16-18)27-17-21-15-14-19-7-2-3-10-23(19)25-21/h2-4,6-7,9-10,14-16,20,24H,5,8,11-13,17H2,1H3
InChIKeyNCOCHBCFOLAIAO-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.56
Rot. Bonds7

About 2-[[3-[2-(2-methoxycyclopentyl)ethyl]phenoxy]methyl]quinoline

2-[[3-[2-(2-methoxycyclopentyl)ethyl]phenoxy]methyl]quinoline (PubChem CID 54104151) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[[3-[2-(2-methoxycyclopentyl)ethyl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-[2-(2-methoxycyclopentyl)ethyl]phenoxy]methyl]quinoline
PubChem CID54104151
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC Name2-[[3-[2-(2-methoxycyclopentyl)ethyl]phenoxy]methyl]quinoline
SMILESCOC1CCCC1CCc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C24H27NO2/c1-26-24-11-5-8-20(24)13-12-18-6-4-9-22(16-18)27-17-21-15-14-19-7-2-3-10-23(19)25-21/h2-4,6-7,9-10,14-16,20,24H,5,8,11-13,17H2,1H3
InChIKeyNCOCHBCFOLAIAO-UHFFFAOYSA-N
XLogP5.56
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(bromomethyl)phenoxy]methyl]quinoline
CID 43324683
2-[(3-hexylphenoxy)methyl]quinoline
CID 14349142
2-[3-[3-(quinolin-2-ylmethoxy)phenyl]propylsulfonyl]acetic acid
CID 139921957
2-[[3-[3-[3-[3-(2H-tetrazol-5-yl)propoxy]phenyl]propyl]phenoxy]methyl]quinoline
CID 19856226
acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid
CID 22616056
2-[[3-(1,3-dioxolan-2-yl)phenoxy]methyl]quinoline
CID 19864853
2-[[3-(1,3-dithian-2-yl)phenoxy]methyl]quinoline
CID 14774169
2-[[3-[4-(2H-tetrazol-5-yl)heptyl]phenoxy]methyl]quinoline
CID 14750519
(E)-6-[3-(quinolin-2-ylmethoxy)phenyl]hex-2-enoic acid
CID 139921752
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
CID 18727386
2-[[4-[[3-(2H-tetrazol-1-ium-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
CID 163467105
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(2-methoxycyclopentyl)ethyl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[3-[2-(2-methoxycyclopentyl)ethyl]phenoxy]methyl]quinoline (CID 54104151) is 2-[[3-[2-(2-methoxycyclopentyl)ethyl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[3-[2-(2-methoxycyclopentyl)ethyl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[3-[2-(2-methoxycyclopentyl)ethyl]phenoxy]methyl]quinoline is COC1CCCC1CCc1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[[3-[2-(2-methoxycyclopentyl)ethyl]phenoxy]methyl]quinoline?
The InChIKey is NCOCHBCFOLAIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-26-24-11-5-8-20(24)13-12-18-6-4-9-22(16-18)27-17-21-15-14-19-7-2-3-10-23(19)25-21/h2-4,6-7,9-10,14-16,20,24H,5,8,11-13,17H2,1H3.
What are the key properties of 2-[[3-[2-(2-methoxycyclopentyl)ethyl]phenoxy]methyl]quinoline?
2-[[3-[2-(2-methoxycyclopentyl)ethyl]phenoxy]methyl]quinoline has a molecular weight of 361.49 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(2-methoxycyclopentyl)ethyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 54104151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).