5-chloro-8-(pyridin-2-ylmethoxy)-7-(pyrrolidin-1-ylmethyl)quinoline

C20H20ClN3O — CID 4702087

IUPAC5-chloro-8-(pyridin-2-ylmethoxy)-7-(pyrrolidin-1-ylmethyl)quinoline
SMILESClc1cc(CN2CCCC2)c(OCc2ccccn2)c2ncccc12
InChIInChI=1S/C20H20ClN3O/c21-18-12-15(13-24-10-3-4-11-24)20(19-17(18)7-5-9-23-19)25-14-16-6-1-2-8-22-16/h1-2,5-9,12H,3-4,10-11,13-14H2
InChIKeyULJDQNXXYQORQV-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.46
Rot. Bonds5

About 5-chloro-8-(pyridin-2-ylmethoxy)-7-(pyrrolidin-1-ylmethyl)quinoline

5-chloro-8-(pyridin-2-ylmethoxy)-7-(pyrrolidin-1-ylmethyl)quinoline (PubChem CID 4702087) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 5-chloro-8-(pyridin-2-ylmethoxy)-7-(pyrrolidin-1-ylmethyl)quinoline.

Molecular Properties

Compound Name5-chloro-8-(pyridin-2-ylmethoxy)-7-(pyrrolidin-1-ylmethyl)quinoline
PubChem CID4702087
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name5-chloro-8-(pyridin-2-ylmethoxy)-7-(pyrrolidin-1-ylmethyl)quinoline
SMILESClc1cc(CN2CCCC2)c(OCc2ccccn2)c2ncccc12
InChIInChI=1S/C20H20ClN3O/c21-18-12-15(13-24-10-3-4-11-24)20(19-17(18)7-5-9-23-19)25-14-16-6-1-2-8-22-16/h1-2,5-9,12H,3-4,10-11,13-14H2
InChIKeyULJDQNXXYQORQV-UHFFFAOYSA-N
XLogP4.46
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-8-(pyridin-2-ylmethoxy)-7-(pyrrolidin-1-ylmethyl)quinoline?
The IUPAC name of 5-chloro-8-(pyridin-2-ylmethoxy)-7-(pyrrolidin-1-ylmethyl)quinoline (CID 4702087) is 5-chloro-8-(pyridin-2-ylmethoxy)-7-(pyrrolidin-1-ylmethyl)quinoline.
What is the SMILES notation for 5-chloro-8-(pyridin-2-ylmethoxy)-7-(pyrrolidin-1-ylmethyl)quinoline?
The canonical SMILES for 5-chloro-8-(pyridin-2-ylmethoxy)-7-(pyrrolidin-1-ylmethyl)quinoline is Clc1cc(CN2CCCC2)c(OCc2ccccn2)c2ncccc12.
What is the InChIKey of 5-chloro-8-(pyridin-2-ylmethoxy)-7-(pyrrolidin-1-ylmethyl)quinoline?
The InChIKey is ULJDQNXXYQORQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c21-18-12-15(13-24-10-3-4-11-24)20(19-17(18)7-5-9-23-19)25-14-16-6-1-2-8-22-16/h1-2,5-9,12H,3-4,10-11,13-14H2.
What are the key properties of 5-chloro-8-(pyridin-2-ylmethoxy)-7-(pyrrolidin-1-ylmethyl)quinoline?
5-chloro-8-(pyridin-2-ylmethoxy)-7-(pyrrolidin-1-ylmethyl)quinoline has a molecular weight of 353.85 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-8-(pyridin-2-ylmethoxy)-7-(pyrrolidin-1-ylmethyl)quinoline is sourced from PubChem (CID 4702087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).