[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone

C20H18ClN3O2 — CID 122256144

IUPAC[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C20H18ClN3O2/c21-16-12-22-10-9-19(16)26-15-5-3-11-24(13-15)20(25)18-8-7-14-4-1-2-6-17(14)23-18/h1-2,4,6-10,12,15H,3,5,11,13H2
InChIKeyZKWUWAUMWUGSFT-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.97
Rot. Bonds3

About [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone

[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone (PubChem CID 122256144) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone
PubChem CID122256144
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C20H18ClN3O2/c21-16-12-22-10-9-19(16)26-15-5-3-11-24(13-15)20(25)18-8-7-14-4-1-2-6-17(14)23-18/h1-2,4,6-10,12,15H,3,5,11,13H2
InChIKeyZKWUWAUMWUGSFT-UHFFFAOYSA-N
XLogP3.97
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 122256184
3-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]chromen-2-one
CID 122243483
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 122256173
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone
CID 122256358
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone
CID 122256170
(2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone
CID 122256291
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-quinolin-2-ylmethanone
CID 122267966
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-3-phenylpropan-1-one
CID 122256256
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 122243488
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 122256222
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one
CID 122256176
(3-pyrazin-2-ylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 127246090

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone (CID 122256144) is [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CCCC(Oc2ccncc2Cl)C1.
What is the InChIKey of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is ZKWUWAUMWUGSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-16-12-22-10-9-19(16)26-15-5-3-11-24(13-15)20(25)18-8-7-14-4-1-2-6-17(14)23-18/h1-2,4,6-10,12,15H,3,5,11,13H2.
What are the key properties of [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone?
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 367.84 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 122256144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).