[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone

C18H16ClN5O2 — CID 119100812

IUPAC[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
SMILESO=C(c1ccc2nccnc2c1)N1CCCC(Oc2ncc(Cl)cn2)C1
InChIInChI=1S/C18H16ClN5O2/c19-13-9-22-18(23-10-13)26-14-2-1-7-24(11-14)17(25)12-3-4-15-16(8-12)21-6-5-20-15/h3-6,8-10,14H,1-2,7,11H2
InChIKeyPTRKXNVFSWIBKN-UHFFFAOYSA-N
MW369.81 g/mol
LogP2.76
Rot. Bonds3

About [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone

[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone (PubChem CID 119100812) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
PubChem CID119100812
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
SMILESO=C(c1ccc2nccnc2c1)N1CCCC(Oc2ncc(Cl)cn2)C1
InChIInChI=1S/C18H16ClN5O2/c19-13-9-22-18(23-10-13)26-14-2-1-7-24(11-14)17(25)12-3-4-15-16(8-12)21-6-5-20-15/h3-6,8-10,14H,1-2,7,11H2
InChIKeyPTRKXNVFSWIBKN-UHFFFAOYSA-N
XLogP2.76
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122259322
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 122257971
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone
CID 122259448
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methoxyphenyl)methanone
CID 122259305
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 119100780
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 122267298
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283
(3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 55185515
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 122243582
[3-(6-methoxypyrazin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 91628208
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 122260430
1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone
CID 122268269

Frequently Asked Questions

What is the IUPAC name of [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone (CID 119100812) is [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone is O=C(c1ccc2nccnc2c1)N1CCCC(Oc2ncc(Cl)cn2)C1.
What is the InChIKey of [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone?
The InChIKey is PTRKXNVFSWIBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c19-13-9-22-18(23-10-13)26-14-2-1-7-24(11-14)17(25)12-3-4-15-16(8-12)21-6-5-20-15/h3-6,8-10,14H,1-2,7,11H2.
What are the key properties of [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone?
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone has a molecular weight of 369.81 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 119100812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).