2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperazin-1-yl]ethanol

C22H26N6O2 — CID 58547862

IUPAC2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C22H26N6O2/c29-14-13-26-9-11-27(12-10-26)21-22(24-8-7-23-21)30-18-15-28(16-18)20-6-5-17-3-1-2-4-19(17)25-20/h1-8,18,29H,9-16H2
InChIKeyJVCRJTYTCVGOIL-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.41
Rot. Bonds6

About 2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperazin-1-yl]ethanol

2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperazin-1-yl]ethanol (PubChem CID 58547862) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperazin-1-yl]ethanol
PubChem CID58547862
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C22H26N6O2/c29-14-13-26-9-11-27(12-10-26)21-22(24-8-7-23-21)30-18-15-28(16-18)20-6-5-17-3-1-2-4-19(17)25-20/h1-8,18,29H,9-16H2
InChIKeyJVCRJTYTCVGOIL-UHFFFAOYSA-N
XLogP1.41
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperazin-1-yl]ethanol (CID 58547862) is 2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperazin-1-yl]ethanol is OCCN1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of 2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperazin-1-yl]ethanol?
The InChIKey is JVCRJTYTCVGOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c29-14-13-26-9-11-27(12-10-26)21-22(24-8-7-23-21)30-18-15-28(16-18)20-6-5-17-3-1-2-4-19(17)25-20/h1-8,18,29H,9-16H2.
What are the key properties of 2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperazin-1-yl]ethanol?
2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 406.49 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 58547862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).