2-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline

C21H23N5 — CID 58547331

IUPAC2-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESC[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C21H23N5/c1-15-8-11-25(12-15)21-20(22-9-10-23-21)17-13-26(14-17)19-7-6-16-4-2-3-5-18(16)24-19/h2-7,9-10,15,17H,8,11-14H2,1H3/t15-/m1/s1
InChIKeyUAOTZYBGYKZIDA-OAHLLOKOSA-N
MW345.45 g/mol
LogP3.47
Rot. Bonds3

About 2-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline

2-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 58547331) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID58547331
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name2-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESC[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C21H23N5/c1-15-8-11-25(12-15)21-20(22-9-10-23-21)17-13-26(14-17)19-7-6-16-4-2-3-5-18(16)24-19/h2-7,9-10,15,17H,8,11-14H2,1H3/t15-/m1/s1
InChIKeyUAOTZYBGYKZIDA-OAHLLOKOSA-N
XLogP3.47
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline (CID 58547331) is 2-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline is C[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1.
What is the InChIKey of 2-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is UAOTZYBGYKZIDA-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23N5/c1-15-8-11-25(12-15)21-20(22-9-10-23-21)17-13-26(14-17)19-7-6-16-4-2-3-5-18(16)24-19/h2-7,9-10,15,17H,8,11-14H2,1H3/t15-/m1/s1.
What are the key properties of 2-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 345.45 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 58547331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).