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

C20H19N5O2 — CID 58547889

IUPAC1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]pyrrolidin-3-one
SMILESO=C1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C20H19N5O2/c26-15-7-10-24(11-15)19-20(22-9-8-21-19)27-16-12-25(13-16)18-6-5-14-3-1-2-4-17(14)23-18/h1-6,8-9,16H,7,10-13H2
InChIKeyAYJGIGPKHIPHNS-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.07
Rot. Bonds4

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

1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]pyrrolidin-3-one (PubChem CID 58547889) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]pyrrolidin-3-one.

Molecular Properties

Compound Name1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]pyrrolidin-3-one
PubChem CID58547889
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]pyrrolidin-3-one
SMILESO=C1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C20H19N5O2/c26-15-7-10-24(11-15)19-20(22-9-8-21-19)27-16-12-25(13-16)18-6-5-14-3-1-2-4-17(14)23-18/h1-6,8-9,16H,7,10-13H2
InChIKeyAYJGIGPKHIPHNS-UHFFFAOYSA-N
XLogP2.07
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.07
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]pyrrolidin-3-one?
The IUPAC name of 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]pyrrolidin-3-one (CID 58547889) is 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]pyrrolidin-3-one.
What is the SMILES notation for 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]pyrrolidin-3-one?
The canonical SMILES for 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]pyrrolidin-3-one is O=C1CCN(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)C1.
What is the InChIKey of 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]pyrrolidin-3-one?
The InChIKey is AYJGIGPKHIPHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c26-15-7-10-24(11-15)19-20(22-9-8-21-19)27-16-12-25(13-16)18-6-5-14-3-1-2-4-17(14)23-18/h1-6,8-9,16H,7,10-13H2.
What are the key properties of 1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]pyrrolidin-3-one?
1-[3-(1-quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]pyrrolidin-3-one has a molecular weight of 361.41 g/mol, XLogP of 2.07, 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]pyrrolidin-3-one is sourced from PubChem (CID 58547889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).