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

C23H26N4O2 — CID 118721671

IUPAC[1-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2cccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C23H26N4O2/c28-16-17-9-12-26(13-10-17)21-6-3-11-24-23(21)29-19-14-27(15-19)22-8-7-18-4-1-2-5-20(18)25-22/h1-8,11,17,19,28H,9-10,12-16H2
InChIKeyWGNXRQXVNKMWRK-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.11
Rot. Bonds5

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

[1-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol (PubChem CID 118721671) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is [1-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol
PubChem CID118721671
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name[1-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2cccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C23H26N4O2/c28-16-17-9-12-26(13-10-17)21-6-3-11-24-23(21)29-19-14-27(15-19)22-8-7-18-4-1-2-5-20(18)25-22/h1-8,11,17,19,28H,9-10,12-16H2
InChIKeyWGNXRQXVNKMWRK-UHFFFAOYSA-N
XLogP3.11
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol (CID 118721671) is [1-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol is OCC1CCN(c2cccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of [1-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol?
The InChIKey is WGNXRQXVNKMWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-16-17-9-12-26(13-10-17)21-6-3-11-24-23(21)29-19-14-27(15-19)22-8-7-18-4-1-2-5-20(18)25-22/h1-8,11,17,19,28H,9-10,12-16H2.
What are the key properties of [1-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol?
[1-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol has a molecular weight of 390.49 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol is sourced from PubChem (CID 118721671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).