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

C23H26N4O2 — CID 58547809

IUPAC[1-[4-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2cnccc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C23H26N4O2/c28-16-17-8-11-26(12-9-17)21-13-24-10-7-22(21)29-19-14-27(15-19)23-6-5-18-3-1-2-4-20(18)25-23/h1-7,10,13,17,19,28H,8-9,11-12,14-16H2
InChIKeyGTDZZKHHEBNCLB-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.11
Rot. Bonds5

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

[1-[4-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol (PubChem CID 58547809) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is [1-[4-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol
PubChem CID58547809
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name[1-[4-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2cnccc2OC2CN(c3ccc4ccccc4n3)C2)CC1
InChIInChI=1S/C23H26N4O2/c28-16-17-8-11-26(12-9-17)21-13-24-10-7-22(21)29-19-14-27(15-19)23-6-5-18-3-1-2-4-20(18)25-23/h1-7,10,13,17,19,28H,8-9,11-12,14-16H2
InChIKeyGTDZZKHHEBNCLB-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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Related Compounds

[1-(3-{[1-(Quinolin-2-Yl)azetidin-3-Yl]oxy}pyrazin-2-Yl)piperidin-4-Yl]methanol
CID 58547833
[1-[6-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol
CID 58547807
1-[4-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-1-yl]ethanone
CID 54670110
1-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidine-4-carbonitrile
CID 54670394
2-[3-(3-Pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 54670488
2-[3-[3-(2-Methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 54670489
2-[3-[3-(1-Methylsulfonylpiperidin-4-yl)pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 54671050
2-[3-(3-Pyridin-4-ylpyrazin-2-yl)oxyazetidin-1-yl]quinoline
CID 58547740
[1-[3-(1-Quinazolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]piperidin-4-yl]methanol
CID 58547742
4-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]morpholine
CID 58547786
2-[3-[3-[4-(Methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyazetidin-1-yl]quinoline
CID 58547789
[3-[3-(1-Quinolin-2-ylazetidin-3-yl)oxypyrazin-2-yl]phenyl]methanol
CID 58547801

Frequently Asked Questions

What is the IUPAC name of [1-[4-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol (CID 58547809) is [1-[4-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol is OCC1CCN(c2cnccc2OC2CN(c3ccc4ccccc4n3)C2)CC1.
What is the InChIKey of [1-[4-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol?
The InChIKey is GTDZZKHHEBNCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-16-17-8-11-26(12-9-17)21-13-24-10-7-22(21)29-19-14-27(15-19)23-6-5-18-3-1-2-4-20(18)25-23/h1-7,10,13,17,19,28H,8-9,11-12,14-16H2.
What are the key properties of [1-[4-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol?
[1-[4-(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-[4-(1-quinolin-2-ylazetidin-3-yl)oxy-3-pyridinyl]piperidin-4-yl]methanol is sourced from PubChem (CID 58547809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).