[1-[3-(1-quinazolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol

C21H24N6O2 — CID 58547742

IUPAC[1-[3-(1-quinazolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccnc2OC2CN(c3ncc4ccccc4n3)C2)CC1
InChIInChI=1S/C21H24N6O2/c28-14-15-5-9-26(10-6-15)19-20(23-8-7-22-19)29-17-12-27(13-17)21-24-11-16-3-1-2-4-18(16)25-21/h1-4,7-8,11,15,17,28H,5-6,9-10,12-14H2
InChIKeyUCZWMJGLQSSNCI-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.90
Rot. Bonds5

About [1-[3-(1-quinazolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol

[1-[3-(1-quinazolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 58547742) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is [1-[3-(1-quinazolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-(1-quinazolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID58547742
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name[1-[3-(1-quinazolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nccnc2OC2CN(c3ncc4ccccc4n3)C2)CC1
InChIInChI=1S/C21H24N6O2/c28-14-15-5-9-26(10-6-15)19-20(23-8-7-22-19)29-17-12-27(13-17)21-24-11-16-3-1-2-4-18(16)25-21/h1-4,7-8,11,15,17,28H,5-6,9-10,12-14H2
InChIKeyUCZWMJGLQSSNCI-UHFFFAOYSA-N
XLogP1.90
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(1-quinazolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-(1-quinazolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol (CID 58547742) is [1-[3-(1-quinazolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-(1-quinazolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-(1-quinazolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2nccnc2OC2CN(c3ncc4ccccc4n3)C2)CC1.
What is the InChIKey of [1-[3-(1-quinazolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is UCZWMJGLQSSNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c28-14-15-5-9-26(10-6-15)19-20(23-8-7-22-19)29-17-12-27(13-17)21-24-11-16-3-1-2-4-18(16)25-21/h1-4,7-8,11,15,17,28H,5-6,9-10,12-14H2.
What are the key properties of [1-[3-(1-quinazolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol?
[1-[3-(1-quinazolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 392.46 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1-quinazolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 58547742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).