[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]morpholin-2-yl]methanol

C21H23N5O3 — CID 58547861

IUPAC[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]morpholin-2-yl]methanol
SMILESOCC1CN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CCO1
InChIInChI=1S/C21H23N5O3/c27-14-17-13-25(9-10-28-17)20-21(23-8-7-22-20)29-16-11-26(12-16)19-6-5-15-3-1-2-4-18(15)24-19/h1-8,16-17,27H,9-14H2
InChIKeyDFEORRXJAZVRLJ-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.49
Rot. Bonds5

About [4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]morpholin-2-yl]methanol

[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]morpholin-2-yl]methanol (PubChem CID 58547861) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is [4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]morpholin-2-yl]methanol
PubChem CID58547861
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]morpholin-2-yl]methanol
SMILESOCC1CN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CCO1
InChIInChI=1S/C21H23N5O3/c27-14-17-13-25(9-10-28-17)20-21(23-8-7-22-20)29-16-11-26(12-16)19-6-5-15-3-1-2-4-18(15)24-19/h1-8,16-17,27H,9-14H2
InChIKeyDFEORRXJAZVRLJ-UHFFFAOYSA-N
XLogP1.49
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]morpholin-2-yl]methanol?
The IUPAC name of [4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]morpholin-2-yl]methanol (CID 58547861) is [4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]morpholin-2-yl]methanol is OCC1CN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CCO1.
What is the InChIKey of [4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]morpholin-2-yl]methanol?
The InChIKey is DFEORRXJAZVRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c27-14-17-13-25(9-10-28-17)20-21(23-8-7-22-20)29-16-11-26(12-16)19-6-5-15-3-1-2-4-18(15)24-19/h1-8,16-17,27H,9-14H2.
What are the key properties of [4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]morpholin-2-yl]methanol?
[4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]morpholin-2-yl]methanol has a molecular weight of 393.45 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]morpholin-2-yl]methanol is sourced from PubChem (CID 58547861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).