1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-one

C21H21N5O2 — CID 58547710

IUPAC1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-one
SMILESO=C1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C21H21N5O2/c27-16-7-11-25(12-8-16)20-21(23-10-9-22-20)28-17-13-26(14-17)19-6-5-15-3-1-2-4-18(15)24-19/h1-6,9-10,17H,7-8,11-14H2
InChIKeyAHHRTVLCJOTSHD-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.46
Rot. Bonds4

About 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-one

1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-one (PubChem CID 58547710) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-one
PubChem CID58547710
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-one
SMILESO=C1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C21H21N5O2/c27-16-7-11-25(12-8-16)20-21(23-10-9-22-20)28-17-13-26(14-17)19-6-5-15-3-1-2-4-18(15)24-19/h1-6,9-10,17H,7-8,11-14H2
InChIKeyAHHRTVLCJOTSHD-UHFFFAOYSA-N
XLogP2.46
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-one?
The IUPAC name of 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-one (CID 58547710) is 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-one.
What is the SMILES notation for 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-one?
The canonical SMILES for 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-one is O=C1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-one?
The InChIKey is AHHRTVLCJOTSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-16-7-11-25(12-8-16)20-21(23-10-9-22-20)28-17-13-26(14-17)19-6-5-15-3-1-2-4-18(15)24-19/h1-6,9-10,17H,7-8,11-14H2.
What are the key properties of 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-one?
1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-one has a molecular weight of 375.43 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-one is sourced from PubChem (CID 58547710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).