2-[(3R)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline

C23H25N3O2 — CID 58548124

IUPAC2-[(3R)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline
SMILESc1cnc(O[C@@H]2CCN(c3ccc4ccccc4n3)C2)c(C2CCOCC2)c1
InChIInChI=1S/C23H25N3O2/c1-2-6-21-18(4-1)7-8-22(25-21)26-13-9-19(16-26)28-23-20(5-3-12-24-23)17-10-14-27-15-11-17/h1-8,12,17,19H,9-11,13-16H2/t19-/m1/s1
InChIKeyDAZDQGSMKCXMPT-LJQANCHMSA-N
MW375.47 g/mol
LogP4.18
Rot. Bonds4

About 2-[(3R)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline

2-[(3R)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline (PubChem CID 58548124) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[(3R)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[(3R)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline
PubChem CID58548124
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-[(3R)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline
SMILESc1cnc(O[C@@H]2CCN(c3ccc4ccccc4n3)C2)c(C2CCOCC2)c1
InChIInChI=1S/C23H25N3O2/c1-2-6-21-18(4-1)7-8-22(25-21)26-13-9-19(16-26)28-23-20(5-3-12-24-23)17-10-14-27-15-11-17/h1-8,12,17,19H,9-11,13-16H2/t19-/m1/s1
InChIKeyDAZDQGSMKCXMPT-LJQANCHMSA-N
XLogP4.18
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline?
The IUPAC name of 2-[(3R)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline (CID 58548124) is 2-[(3R)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline.
What is the SMILES notation for 2-[(3R)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline?
The canonical SMILES for 2-[(3R)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline is c1cnc(O[C@@H]2CCN(c3ccc4ccccc4n3)C2)c(C2CCOCC2)c1.
What is the InChIKey of 2-[(3R)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline?
The InChIKey is DAZDQGSMKCXMPT-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-6-21-18(4-1)7-8-22(25-21)26-13-9-19(16-26)28-23-20(5-3-12-24-23)17-10-14-27-15-11-17/h1-8,12,17,19H,9-11,13-16H2/t19-/m1/s1.
What are the key properties of 2-[(3R)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline?
2-[(3R)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline has a molecular weight of 375.47 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]pyrrolidin-1-yl]quinoline is sourced from PubChem (CID 58548124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).