2-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-3-yl]oxyethanol

C16H18ClFN2O2 — CID 133315310

IUPAC2-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-3-yl]oxyethanol
SMILESOCCOC1CCCN(c2ccc3c(Cl)ccnc3c2F)C1
InChIInChI=1S/C16H18ClFN2O2/c17-13-5-6-19-16-12(13)3-4-14(15(16)18)20-7-1-2-11(10-20)22-9-8-21/h3-6,11,21H,1-2,7-10H2
InChIKeyQWCWWKBXQBUROF-UHFFFAOYSA-N
MW324.78 g/mol
LogP3.01
Rot. Bonds4

About 2-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-3-yl]oxyethanol

2-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-3-yl]oxyethanol (PubChem CID 133315310) has the molecular formula C16H18ClFN2O2 and a molecular weight of 324.78 g/mol. Its IUPAC name is 2-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-3-yl]oxyethanol
PubChem CID133315310
Molecular FormulaC16H18ClFN2O2
Molecular Weight324.78 g/mol
Exact Mass324.10
IUPAC Name2-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-3-yl]oxyethanol
SMILESOCCOC1CCCN(c2ccc3c(Cl)ccnc3c2F)C1
InChIInChI=1S/C16H18ClFN2O2/c17-13-5-6-19-16-12(13)3-4-14(15(16)18)20-7-1-2-11(10-20)22-9-8-21/h3-6,11,21H,1-2,7-10H2
InChIKeyQWCWWKBXQBUROF-UHFFFAOYSA-N
XLogP3.01
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.78
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(7-chloroquinolin-4-yl)piperidin-3-yl]oxyethanol
CID 133315313
2-(4-chloro-8-fluoroquinolin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 133305703
4-chloro-8-fluoro-7-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline
CID 86969359
2-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]oxyethanol
CID 133401937
2-[1-(5-nitroquinolin-8-yl)piperidin-3-yl]oxyethanol
CID 133315227
2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol
CID 133315289
1-[4-(4-chloro-8-fluoroquinolin-7-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 133355092
[3-chloro-4-(3-propoxypiperidin-1-yl)phenyl]methanol
CID 81152025
1-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-4-yl]imidazolidin-2-one
CID 133297883
2-[1-(6-chloropyrazin-2-yl)piperidin-3-yl]oxyethanol
CID 133315157
5-[4-(4-chloro-8-fluoroquinolin-7-yl)-1,4-diazepan-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 133334716
4-chloro-8-fluoro-7-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline
CID 133299214

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-3-yl]oxyethanol?
The IUPAC name of 2-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-3-yl]oxyethanol (CID 133315310) is 2-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-3-yl]oxyethanol.
What is the SMILES notation for 2-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-3-yl]oxyethanol?
The canonical SMILES for 2-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-3-yl]oxyethanol is OCCOC1CCCN(c2ccc3c(Cl)ccnc3c2F)C1.
What is the InChIKey of 2-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-3-yl]oxyethanol?
The InChIKey is QWCWWKBXQBUROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O2/c17-13-5-6-19-16-12(13)3-4-14(15(16)18)20-7-1-2-11(10-20)22-9-8-21/h3-6,11,21H,1-2,7-10H2.
What are the key properties of 2-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-3-yl]oxyethanol?
2-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-3-yl]oxyethanol has a molecular weight of 324.78 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-3-yl]oxyethanol is sourced from PubChem (CID 133315310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).