2-[3-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline

C22H25N5 — CID 58547268

IUPAC2-[3-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCC1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C22H25N5/c1-16-8-12-26(13-9-16)22-21(23-10-11-24-22)18-14-27(15-18)20-7-6-17-4-2-3-5-19(17)25-20/h2-7,10-11,16,18H,8-9,12-15H2,1H3
InChIKeyKPALJGIMYGHLPU-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.86
Rot. Bonds3

About 2-[3-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline

2-[3-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 58547268) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-[3-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID58547268
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name2-[3-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCC1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C22H25N5/c1-16-8-12-26(13-9-16)22-21(23-10-11-24-22)18-14-27(15-18)20-7-6-17-4-2-3-5-19(17)25-20/h2-7,10-11,16,18H,8-9,12-15H2,1H3
InChIKeyKPALJGIMYGHLPU-UHFFFAOYSA-N
XLogP3.86
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline (CID 58547268) is 2-[3-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline is CC1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of 2-[3-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is KPALJGIMYGHLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-16-8-12-26(13-9-16)22-21(23-10-11-24-22)18-14-27(15-18)20-7-6-17-4-2-3-5-19(17)25-20/h2-7,10-11,16,18H,8-9,12-15H2,1H3.
What are the key properties of 2-[3-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 359.48 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 58547268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).