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

C21H23N5O2 — CID 58547845

IUPAC1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-ol
SMILESOC1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C21H23N5O2/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/h1-6,9-10,16-17,27H,7-8,11-14H2
InChIKeyVLSWVWPJONPXEJ-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.25
Rot. Bonds4

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

1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-ol (PubChem CID 58547845) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-ol
PubChem CID58547845
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-ol
SMILESOC1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C21H23N5O2/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/h1-6,9-10,16-17,27H,7-8,11-14H2
InChIKeyVLSWVWPJONPXEJ-UHFFFAOYSA-N
XLogP2.25
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(3-{[1-(Quinolin-2-Yl)azetidin-3-Yl]oxy}pyrazin-2-Yl)piperidin-4-Yl]methanol
CID 58547833
[1-[6-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol
CID 58547807
3-[6-(4-Hydroxy-piperidin-1-yl)-[1,7]naphthyridin-8-yl]-benzonitrile
CID 9973904
1-[4-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone
CID 54670110
1-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carbonitrile
CID 54670394
2-[3-(3-Pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 54670488
2-[3-[3-(2-Methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 54670489
2-[3-[3-(1-Methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 54671050
1-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carboxamide
CID 58547692
2-[3-(3-Pyridin-4-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 58547740
[1-[3-(1-Quinazolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol
CID 58547742
4-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]morpholine
CID 58547786

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-ol (CID 58547845) is 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-ol is OC1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-ol?
The InChIKey is VLSWVWPJONPXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/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/h1-6,9-10,16-17,27H,7-8,11-14H2.
What are the key properties of 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-ol?
1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-ol has a molecular weight of 377.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 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-ol is sourced from PubChem (CID 58547845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).