2-[3-[3-(3-azabicyclo[3.2.2]nonan-3-yl)pyrazin-2-yl]azetidin-1-yl]quinoline

C24H27N5 — CID 58546852

IUPAC2-[3-[3-(3-azabicyclo[3.2.2]nonan-3-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESc1ccc2nc(N3CC(c4nccnc4N4CC5CCC(CC5)C4)C3)ccc2c1
InChIInChI=1S/C24H27N5/c1-2-4-21-19(3-1)9-10-22(27-21)28-15-20(16-28)23-24(26-12-11-25-23)29-13-17-5-6-18(14-29)8-7-17/h1-4,9-12,17-18,20H,5-8,13-16H2
InChIKeyNLASHSQBVVQFFA-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.26
Rot. Bonds3

About 2-[3-[3-(3-azabicyclo[3.2.2]nonan-3-yl)pyrazin-2-yl]azetidin-1-yl]quinoline

2-[3-[3-(3-azabicyclo[3.2.2]nonan-3-yl)pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 58546852) has the molecular formula C24H27N5 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-[3-[3-(3-azabicyclo[3.2.2]nonan-3-yl)pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-(3-azabicyclo[3.2.2]nonan-3-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID58546852
Molecular FormulaC24H27N5
Molecular Weight385.51 g/mol
Exact Mass385.23
IUPAC Name2-[3-[3-(3-azabicyclo[3.2.2]nonan-3-yl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESc1ccc2nc(N3CC(c4nccnc4N4CC5CCC(CC5)C4)C3)ccc2c1
InChIInChI=1S/C24H27N5/c1-2-4-21-19(3-1)9-10-22(27-21)28-15-20(16-28)23-24(26-12-11-25-23)29-13-17-5-6-18(14-29)8-7-17/h1-4,9-12,17-18,20H,5-8,13-16H2
InChIKeyNLASHSQBVVQFFA-UHFFFAOYSA-N
XLogP4.26
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.26
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-azabicyclo[3.2.2]nonan-3-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-(3-azabicyclo[3.2.2]nonan-3-yl)pyrazin-2-yl]azetidin-1-yl]quinoline (CID 58546852) is 2-[3-[3-(3-azabicyclo[3.2.2]nonan-3-yl)pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-(3-azabicyclo[3.2.2]nonan-3-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-(3-azabicyclo[3.2.2]nonan-3-yl)pyrazin-2-yl]azetidin-1-yl]quinoline is c1ccc2nc(N3CC(c4nccnc4N4CC5CCC(CC5)C4)C3)ccc2c1.
What is the InChIKey of 2-[3-[3-(3-azabicyclo[3.2.2]nonan-3-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is NLASHSQBVVQFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5/c1-2-4-21-19(3-1)9-10-22(27-21)28-15-20(16-28)23-24(26-12-11-25-23)29-13-17-5-6-18(14-29)8-7-17/h1-4,9-12,17-18,20H,5-8,13-16H2.
What are the key properties of 2-[3-[3-(3-azabicyclo[3.2.2]nonan-3-yl)pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-(3-azabicyclo[3.2.2]nonan-3-yl)pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 385.51 g/mol, XLogP of 4.26, 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-azabicyclo[3.2.2]nonan-3-yl)pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 58546852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).