7-chloro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline

C20H20ClN3O — CID 167020774

IUPAC7-chloro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline
SMILESClc1ccc2c(COc3cccc(C4CCNCC4)n3)ccnc2c1
InChIInChI=1S/C20H20ClN3O/c21-16-4-5-17-15(8-11-23-19(17)12-16)13-25-20-3-1-2-18(24-20)14-6-9-22-10-7-14/h1-5,8,11-12,14,22H,6-7,9-10,13H2
InChIKeyFVSFKRNGDNHKAQ-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.33
Rot. Bonds4

About 7-chloro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline

7-chloro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline (PubChem CID 167020774) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 7-chloro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline.

Molecular Properties

Compound Name7-chloro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline
PubChem CID167020774
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name7-chloro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline
SMILESClc1ccc2c(COc3cccc(C4CCNCC4)n3)ccnc2c1
InChIInChI=1S/C20H20ClN3O/c21-16-4-5-17-15(8-11-23-19(17)12-16)13-25-20-3-1-2-18(24-20)14-6-9-22-10-7-14/h1-5,8,11-12,14,22H,6-7,9-10,13H2
InChIKeyFVSFKRNGDNHKAQ-UHFFFAOYSA-N
XLogP4.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline?
The IUPAC name of 7-chloro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline (CID 167020774) is 7-chloro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline.
What is the SMILES notation for 7-chloro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline?
The canonical SMILES for 7-chloro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline is Clc1ccc2c(COc3cccc(C4CCNCC4)n3)ccnc2c1.
What is the InChIKey of 7-chloro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline?
The InChIKey is FVSFKRNGDNHKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c21-16-4-5-17-15(8-11-23-19(17)12-16)13-25-20-3-1-2-18(24-20)14-6-9-22-10-7-14/h1-5,8,11-12,14,22H,6-7,9-10,13H2.
What are the key properties of 7-chloro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline?
7-chloro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline has a molecular weight of 353.85 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]quinoline is sourced from PubChem (CID 167020774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).