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

C22H25N5O — CID 58546722

IUPAC2,2-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine
SMILESCC1(C)CN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CCO1
InChIInChI=1S/C22H25N5O/c1-22(2)15-26(11-12-28-22)21-20(23-9-10-24-21)17-13-27(14-17)19-8-7-16-5-3-4-6-18(16)25-19/h3-10,17H,11-15H2,1-2H3
InChIKeyGGHKWUZUBLOVIC-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.24
Rot. Bonds3

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

2,2-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine (PubChem CID 58546722) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2,2-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine.

Molecular Properties

Compound Name2,2-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine
PubChem CID58546722
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2,2-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine
SMILESCC1(C)CN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CCO1
InChIInChI=1S/C22H25N5O/c1-22(2)15-26(11-12-28-22)21-20(23-9-10-24-21)17-13-27(14-17)19-8-7-16-5-3-4-6-18(16)25-19/h3-10,17H,11-15H2,1-2H3
InChIKeyGGHKWUZUBLOVIC-UHFFFAOYSA-N
XLogP3.24
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine?
The IUPAC name of 2,2-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine (CID 58546722) is 2,2-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine.
What is the SMILES notation for 2,2-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine?
The canonical SMILES for 2,2-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine is CC1(C)CN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CCO1.
What is the InChIKey of 2,2-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine?
The InChIKey is GGHKWUZUBLOVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-22(2)15-26(11-12-28-22)21-20(23-9-10-24-21)17-13-27(14-17)19-8-7-16-5-3-4-6-18(16)25-19/h3-10,17H,11-15H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine?
2,2-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine has a molecular weight of 375.48 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]morpholine is sourced from PubChem (CID 58546722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).