2-(5-chloroquinolin-8-yl)-2-piperazin-1-ylethanol

C15H18ClN3O — CID 115960145

IUPAC2-(5-chloroquinolin-8-yl)-2-piperazin-1-ylethanol
SMILESOCC(c1ccc(Cl)c2cccnc12)N1CCNCC1
InChIInChI=1S/C15H18ClN3O/c16-13-4-3-12(15-11(13)2-1-5-18-15)14(10-20)19-8-6-17-7-9-19/h1-5,14,17,20H,6-10H2
InChIKeyHQYQHSWDGCRRNC-UHFFFAOYSA-N
MW291.78 g/mol
LogP1.83
Rot. Bonds3

About 2-(5-chloroquinolin-8-yl)-2-piperazin-1-ylethanol

2-(5-chloroquinolin-8-yl)-2-piperazin-1-ylethanol (PubChem CID 115960145) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(5-chloroquinolin-8-yl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name2-(5-chloroquinolin-8-yl)-2-piperazin-1-ylethanol
PubChem CID115960145
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-(5-chloroquinolin-8-yl)-2-piperazin-1-ylethanol
SMILESOCC(c1ccc(Cl)c2cccnc12)N1CCNCC1
InChIInChI=1S/C15H18ClN3O/c16-13-4-3-12(15-11(13)2-1-5-18-15)14(10-20)19-8-6-17-7-9-19/h1-5,14,17,20H,6-10H2
InChIKeyHQYQHSWDGCRRNC-UHFFFAOYSA-N
XLogP1.83
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloroquinolin-8-yl)-2-(1,4-diazepan-1-yl)acetonitrile
CID 115959575
(2R)-2-(2-chlorophenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183556
(2S)-2-naphthalen-1-yl-2-piperazin-1-ylethanol
CID 171183143
2-(2-chloro-4-fluorophenyl)-2-piperazin-1-ylethanol
CID 114064745
2-chloro-6-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenol;hydrochloride
CID 171183032
4-[(1R)-2-hydroxy-1-piperazin-1-ylethyl]naphthalen-1-ol;hydrochloride
CID 171183518
(2R)-2-(4-chloro-2-fluorophenyl)-2-piperazin-1-ylethanol
CID 171174264
(2S)-2-(4-methylnaphthalen-1-yl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183095
1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol
CID 112618208
calcium;5-chloroquinolin-8-ol;hydride
CID 174353815
2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-chloroquinolin-8-yl)ethanamine
CID 115959540
1-(5-chloroquinolin-8-yl)-2-phenylethanol
CID 112618238

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloroquinolin-8-yl)-2-piperazin-1-ylethanol?
The IUPAC name of 2-(5-chloroquinolin-8-yl)-2-piperazin-1-ylethanol (CID 115960145) is 2-(5-chloroquinolin-8-yl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 2-(5-chloroquinolin-8-yl)-2-piperazin-1-ylethanol?
The canonical SMILES for 2-(5-chloroquinolin-8-yl)-2-piperazin-1-ylethanol is OCC(c1ccc(Cl)c2cccnc12)N1CCNCC1.
What is the InChIKey of 2-(5-chloroquinolin-8-yl)-2-piperazin-1-ylethanol?
The InChIKey is HQYQHSWDGCRRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-13-4-3-12(15-11(13)2-1-5-18-15)14(10-20)19-8-6-17-7-9-19/h1-5,14,17,20H,6-10H2.
What are the key properties of 2-(5-chloroquinolin-8-yl)-2-piperazin-1-ylethanol?
2-(5-chloroquinolin-8-yl)-2-piperazin-1-ylethanol has a molecular weight of 291.78 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloroquinolin-8-yl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 115960145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).