7-methoxy-4-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]quinoline

C20H21N3O2 — CID 166187818

IUPAC7-methoxy-4-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]quinoline
SMILESCOc1ccc2c(N3CCC(OCc4ccccn4)C3)ccnc2c1
InChIInChI=1S/C20H21N3O2/c1-24-16-5-6-18-19(12-16)22-10-7-20(18)23-11-8-17(13-23)25-14-15-4-2-3-9-21-15/h2-7,9-10,12,17H,8,11,13-14H2,1H3
InChIKeyDBXITPDCKZQMIS-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.43
Rot. Bonds5

About 7-methoxy-4-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]quinoline

7-methoxy-4-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]quinoline (PubChem CID 166187818) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 7-methoxy-4-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]quinoline.

Molecular Properties

Compound Name7-methoxy-4-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]quinoline
PubChem CID166187818
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name7-methoxy-4-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]quinoline
SMILESCOc1ccc2c(N3CCC(OCc4ccccn4)C3)ccnc2c1
InChIInChI=1S/C20H21N3O2/c1-24-16-5-6-18-19(12-16)22-10-7-20(18)23-11-8-17(13-23)25-14-15-4-2-3-9-21-15/h2-7,9-10,12,17H,8,11,13-14H2,1H3
InChIKeyDBXITPDCKZQMIS-UHFFFAOYSA-N
XLogP3.43
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]ethanol
CID 177345975
(3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine
CID 66954288
2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propanenitrile
CID 155125423
2-[[(3R)-1-(4-fluoro-2-nitrophenyl)pyrrolidin-3-yl]oxymethyl]pyridine
CID 97018220
3-fluoro-4-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]pyridine
CID 72920740
4-[(3S)-3-(2-methoxyethoxy)pyrrolidin-1-yl]-2-methyl-7-phenylmethoxyquinoline
CID 69288784
4-(3-methoxypyrrolidin-1-yl)-2-methyl-7-phenylmethoxyquinoline
CID 22641415
[(3R,4R)-3-hydroxy-4-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 133132232
6,7-dimethoxy-4-(4-methoxypiperidin-1-yl)quinoline
CID 122152929
diimino-[[2-(7-methoxyquinolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-λ6-sulfane
CID 177346116
2-[(1-propan-2-ylpiperidin-4-yl)oxymethyl]pyridine
CID 134434529
(1-benzoylpiperidin-3-yl)-[4-(7-methoxyquinolin-4-yl)piperazin-1-yl]methanone
CID 166110422

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]quinoline?
The IUPAC name of 7-methoxy-4-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]quinoline (CID 166187818) is 7-methoxy-4-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]quinoline.
What is the SMILES notation for 7-methoxy-4-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]quinoline?
The canonical SMILES for 7-methoxy-4-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]quinoline is COc1ccc2c(N3CCC(OCc4ccccn4)C3)ccnc2c1.
What is the InChIKey of 7-methoxy-4-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]quinoline?
The InChIKey is DBXITPDCKZQMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-24-16-5-6-18-19(12-16)22-10-7-20(18)23-11-8-17(13-23)25-14-15-4-2-3-9-21-15/h2-7,9-10,12,17H,8,11,13-14H2,1H3.
What are the key properties of 7-methoxy-4-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]quinoline?
7-methoxy-4-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]quinoline has a molecular weight of 335.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]quinoline is sourced from PubChem (CID 166187818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).