[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-4-yl]methanol

C26H27N5O2 — CID 58548077

IUPAC[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc3ccccc3nc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C26H27N5O2/c32-17-18-11-13-30(14-12-18)25-26(29-23-8-4-3-7-22(23)28-25)33-20-15-31(16-20)24-10-9-19-5-1-2-6-21(19)27-24/h1-10,18,20,32H,11-17H2
InChIKeyYGQUPXYJXOSCNR-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.65
Rot. Bonds5

About [1-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-4-yl]methanol

[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-4-yl]methanol (PubChem CID 58548077) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is [1-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-4-yl]methanol
PubChem CID58548077
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2nc3ccccc3nc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C26H27N5O2/c32-17-18-11-13-30(14-12-18)25-26(29-23-8-4-3-7-22(23)28-25)33-20-15-31(16-20)24-10-9-19-5-1-2-6-21(19)27-24/h1-10,18,20,32H,11-17H2
InChIKeyYGQUPXYJXOSCNR-UHFFFAOYSA-N
XLogP3.65
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-4-yl]methanol (CID 58548077) is [1-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2nc3ccccc3nc2OC2CN(c3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of [1-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-4-yl]methanol?
The InChIKey is YGQUPXYJXOSCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c32-17-18-11-13-30(14-12-18)25-26(29-23-8-4-3-7-22(23)28-25)33-20-15-31(16-20)24-10-9-19-5-1-2-6-21(19)27-24/h1-10,18,20,32H,11-17H2.
What are the key properties of [1-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-4-yl]methanol?
[1-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-4-yl]methanol has a molecular weight of 441.54 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(1-quinolin-2-ylazetidin-3-yl)oxyquinoxalin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 58548077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).