4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine

C20H21N5O — CID 58546910

IUPAC4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine
SMILESc1ccc2nc(N3CC(c4nccnc4N4CCOCC4)C3)ccc2c1
InChIInChI=1S/C20H21N5O/c1-2-4-17-15(3-1)5-6-18(23-17)25-13-16(14-25)19-20(22-8-7-21-19)24-9-11-26-12-10-24/h1-8,16H,9-14H2
InChIKeyMWDAIDVTLLNFFF-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.47
Rot. Bonds3

About 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine

4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine (PubChem CID 58546910) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine
PubChem CID58546910
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine
SMILESc1ccc2nc(N3CC(c4nccnc4N4CCOCC4)C3)ccc2c1
InChIInChI=1S/C20H21N5O/c1-2-4-17-15(3-1)5-6-18(23-17)25-13-16(14-25)19-20(22-8-7-21-19)24-9-11-26-12-10-24/h1-8,16H,9-14H2
InChIKeyMWDAIDVTLLNFFF-UHFFFAOYSA-N
XLogP2.47
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine?
The IUPAC name of 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine (CID 58546910) is 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine.
What is the SMILES notation for 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine?
The canonical SMILES for 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine is c1ccc2nc(N3CC(c4nccnc4N4CCOCC4)C3)ccc2c1.
What is the InChIKey of 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine?
The InChIKey is MWDAIDVTLLNFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-2-4-17-15(3-1)5-6-18(23-17)25-13-16(14-25)19-20(22-8-7-21-19)24-9-11-26-12-10-24/h1-8,16H,9-14H2.
What are the key properties of 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine?
4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine has a molecular weight of 347.42 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine is sourced from PubChem (CID 58546910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).