(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-ol

C20H21N5O — CID 58547170

IUPAC(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C20H21N5O/c26-16-7-10-24(13-16)20-19(21-8-9-22-20)15-11-25(12-15)18-6-5-14-3-1-2-4-17(14)23-18/h1-6,8-9,15-16,26H,7,10-13H2/t16-/m1/s1
InChIKeyQWPHQYQNGZAKDO-MRXNPFEDSA-N
MW347.42 g/mol
LogP2.20
Rot. Bonds3

About (3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-ol

(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-ol (PubChem CID 58547170) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is (3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-ol
PubChem CID58547170
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C20H21N5O/c26-16-7-10-24(13-16)20-19(21-8-9-22-20)15-11-25(12-15)18-6-5-14-3-1-2-4-17(14)23-18/h1-6,8-9,15-16,26H,7,10-13H2/t16-/m1/s1
InChIKeyQWPHQYQNGZAKDO-MRXNPFEDSA-N
XLogP2.20
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-ol (CID 58547170) is (3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-ol is O[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1.
What is the InChIKey of (3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-ol?
The InChIKey is QWPHQYQNGZAKDO-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N5O/c26-16-7-10-24(13-16)20-19(21-8-9-22-20)15-11-25(12-15)18-6-5-14-3-1-2-4-17(14)23-18/h1-6,8-9,15-16,26H,7,10-13H2/t16-/m1/s1.
What are the key properties of (3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-ol?
(3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-ol has a molecular weight of 347.42 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 58547170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).