3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline

C22H24N2O2 — CID 18678270

IUPAC3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline
SMILESc1ccc2ncc(COc3ccc(OCCN4CCCC4)cc3)cc2c1
InChIInChI=1S/C22H24N2O2/c1-2-6-22-19(5-1)15-18(16-23-22)17-26-21-9-7-20(8-10-21)25-14-13-24-11-3-4-12-24/h1-2,5-10,15-16H,3-4,11-14,17H2
InChIKeyBUAMGYRXKADNHI-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.29
Rot. Bonds7

About 3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline

3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline (PubChem CID 18678270) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline.

Molecular Properties

Compound Name3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline
PubChem CID18678270
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline
SMILESc1ccc2ncc(COc3ccc(OCCN4CCCC4)cc3)cc2c1
InChIInChI=1S/C22H24N2O2/c1-2-6-22-19(5-1)15-18(16-23-22)17-26-21-9-7-20(8-10-21)25-14-13-24-11-3-4-12-24/h1-2,5-10,15-16H,3-4,11-14,17H2
InChIKeyBUAMGYRXKADNHI-UHFFFAOYSA-N
XLogP4.29
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]quinoline
CID 24733909
3-[(4-fluorophenoxy)methyl]quinoline
CID 174564086
4-[2-(quinolin-3-ylmethoxy)ethyl]morpholine
CID 59259721
3-(2-phenoxyethyl)quinoline
CID 54129983
[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone
CID 90670617
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine
CID 18678156
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
5-[[7-(2-piperidin-1-ylethoxy)quinolin-3-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 21469300
1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine
CID 2246231
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline?
The IUPAC name of 3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline (CID 18678270) is 3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline.
What is the SMILES notation for 3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline?
The canonical SMILES for 3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline is c1ccc2ncc(COc3ccc(OCCN4CCCC4)cc3)cc2c1.
What is the InChIKey of 3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline?
The InChIKey is BUAMGYRXKADNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-2-6-22-19(5-1)15-18(16-23-22)17-26-21-9-7-20(8-10-21)25-14-13-24-11-3-4-12-24/h1-2,5-10,15-16H,3-4,11-14,17H2.
What are the key properties of 3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline?
3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline has a molecular weight of 348.45 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-pyrrolidin-1-ylethoxy)phenoxy]methyl]quinoline is sourced from PubChem (CID 18678270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).