2-[3-[3-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyazetidin-1-yl]quinoline

C23H27N5O2 — CID 58547789

IUPAC2-[3-[3-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyazetidin-1-yl]quinoline
SMILESCOCC1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C23H27N5O2/c1-29-16-17-8-12-27(13-9-17)22-23(25-11-10-24-22)30-19-14-28(15-19)21-7-6-18-4-2-3-5-20(18)26-21/h2-7,10-11,17,19H,8-9,12-16H2,1H3
InChIKeyXXULVXRUHIQODD-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.16
Rot. Bonds6

About 2-[3-[3-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyazetidin-1-yl]quinoline

2-[3-[3-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyazetidin-1-yl]quinoline (PubChem CID 58547789) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-[3-[3-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyazetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyazetidin-1-yl]quinoline
PubChem CID58547789
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name2-[3-[3-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyazetidin-1-yl]quinoline
SMILESCOCC1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C23H27N5O2/c1-29-16-17-8-12-27(13-9-17)22-23(25-11-10-24-22)30-19-14-28(15-19)21-7-6-18-4-2-3-5-20(18)26-21/h2-7,10-11,17,19H,8-9,12-16H2,1H3
InChIKeyXXULVXRUHIQODD-UHFFFAOYSA-N
XLogP3.16
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyazetidin-1-yl]quinoline (CID 58547789) is 2-[3-[3-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyazetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyazetidin-1-yl]quinoline is COCC1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of 2-[3-[3-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
The InChIKey is XXULVXRUHIQODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-29-16-17-8-12-27(13-9-17)22-23(25-11-10-24-22)30-19-14-28(15-19)21-7-6-18-4-2-3-5-20(18)26-21/h2-7,10-11,17,19H,8-9,12-16H2,1H3.
What are the key properties of 2-[3-[3-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyazetidin-1-yl]quinoline?
2-[3-[3-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyazetidin-1-yl]quinoline has a molecular weight of 405.50 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyazetidin-1-yl]quinoline is sourced from PubChem (CID 58547789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).