2-[4-[3-(3-chloro-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline

C23H20ClN5O — CID 54670674

IUPAC2-[4-[3-(3-chloro-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
SMILESClc1cnccc1-c1nccnc1OC1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C23H20ClN5O/c24-19-15-25-10-7-18(19)22-23(27-12-11-26-22)30-17-8-13-29(14-9-17)21-6-5-16-3-1-2-4-20(16)28-21/h1-7,10-12,15,17H,8-9,13-14H2
InChIKeyOFWWKTQNXPHLSY-UHFFFAOYSA-N
MW417.90 g/mol
LogP4.79
Rot. Bonds4

About 2-[4-[3-(3-chloro-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline

2-[4-[3-(3-chloro-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline (PubChem CID 54670674) has the molecular formula C23H20ClN5O and a molecular weight of 417.90 g/mol. Its IUPAC name is 2-[4-[3-(3-chloro-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[4-[3-(3-chloro-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
PubChem CID54670674
Molecular FormulaC23H20ClN5O
Molecular Weight417.90 g/mol
Exact Mass417.14
IUPAC Name2-[4-[3-(3-chloro-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline
SMILESClc1cnccc1-c1nccnc1OC1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C23H20ClN5O/c24-19-15-25-10-7-18(19)22-23(27-12-11-26-22)30-17-8-13-29(14-9-17)21-6-5-16-3-1-2-4-20(16)28-21/h1-7,10-12,15,17H,8-9,13-14H2
InChIKeyOFWWKTQNXPHLSY-UHFFFAOYSA-N
XLogP4.79
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3-chloro-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline?
The IUPAC name of 2-[4-[3-(3-chloro-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline (CID 54670674) is 2-[4-[3-(3-chloro-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline.
What is the SMILES notation for 2-[4-[3-(3-chloro-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline?
The canonical SMILES for 2-[4-[3-(3-chloro-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline is Clc1cnccc1-c1nccnc1OC1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 2-[4-[3-(3-chloro-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline?
The InChIKey is OFWWKTQNXPHLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O/c24-19-15-25-10-7-18(19)22-23(27-12-11-26-22)30-17-8-13-29(14-9-17)21-6-5-16-3-1-2-4-20(16)28-21/h1-7,10-12,15,17H,8-9,13-14H2.
What are the key properties of 2-[4-[3-(3-chloro-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline?
2-[4-[3-(3-chloro-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline has a molecular weight of 417.90 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3-chloro-4-pyridinyl)pyrazin-2-yl]oxypiperidin-1-yl]quinoline is sourced from PubChem (CID 54670674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).