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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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).