2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline

C21H20N4O — CID 58546860

IUPAC2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESC1=C(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CCOC1
InChIInChI=1S/C21H20N4O/c1-2-4-18-15(3-1)5-6-19(24-18)25-13-17(14-25)21-20(22-9-10-23-21)16-7-11-26-12-8-16/h1-7,9-10,17H,8,11-14H2
InChIKeySGNWQHDUSYAZBQ-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.43
Rot. Bonds3

About 2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline

2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 58546860) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID58546860
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESC1=C(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CCOC1
InChIInChI=1S/C21H20N4O/c1-2-4-18-15(3-1)5-6-19(24-18)25-13-17(14-25)21-20(22-9-10-23-21)16-7-11-26-12-8-16/h1-7,9-10,17H,8,11-14H2
InChIKeySGNWQHDUSYAZBQ-UHFFFAOYSA-N
XLogP3.43
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline (CID 58546860) is 2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline is C1=C(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CCOC1.
What is the InChIKey of 2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is SGNWQHDUSYAZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-2-4-18-15(3-1)5-6-19(24-18)25-13-17(14-25)21-20(22-9-10-23-21)16-7-11-26-12-8-16/h1-7,9-10,17H,8,11-14H2.
What are the key properties of 2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 344.42 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3,6-dihydro-2H-pyran-4-yl)pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 58546860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).