4-[2-(5-chloroquinolin-8-yl)oxyethoxy]benzonitrile

C18H13ClN2O2 — CID 2216428

IUPAC4-[2-(5-chloroquinolin-8-yl)oxyethoxy]benzonitrile
SMILESN#Cc1ccc(OCCOc2ccc(Cl)c3cccnc23)cc1
InChIInChI=1S/C18H13ClN2O2/c19-16-7-8-17(18-15(16)2-1-9-21-18)23-11-10-22-14-5-3-13(12-20)4-6-14/h1-9H,10-11H2
InChIKeyXPWQZFNUHLBQEY-UHFFFAOYSA-N
MW324.77 g/mol
LogP4.22
Rot. Bonds5

About 4-[2-(5-chloroquinolin-8-yl)oxyethoxy]benzonitrile

4-[2-(5-chloroquinolin-8-yl)oxyethoxy]benzonitrile (PubChem CID 2216428) has the molecular formula C18H13ClN2O2 and a molecular weight of 324.77 g/mol. Its IUPAC name is 4-[2-(5-chloroquinolin-8-yl)oxyethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-(5-chloroquinolin-8-yl)oxyethoxy]benzonitrile
PubChem CID2216428
Molecular FormulaC18H13ClN2O2
Molecular Weight324.77 g/mol
Exact Mass324.07
IUPAC Name4-[2-(5-chloroquinolin-8-yl)oxyethoxy]benzonitrile
SMILESN#Cc1ccc(OCCOc2ccc(Cl)c3cccnc23)cc1
InChIInChI=1S/C18H13ClN2O2/c19-16-7-8-17(18-15(16)2-1-9-21-18)23-11-10-22-14-5-3-13(12-20)4-6-14/h1-9H,10-11H2
InChIKeyXPWQZFNUHLBQEY-UHFFFAOYSA-N
XLogP4.22
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-8-(6-chlorohexoxy)quinoline
CID 55193642
5-chloro-8-(5-chloropentoxy)quinoline
CID 43348411
2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile
CID 24701489
5-(5-chloroquinolin-8-yl)oxypentan-1-amine
CID 54965610
4-[4-[3-(5-chloroquinolin-8-yl)oxypropoxy]phenyl]butan-2-one
CID 2216411
2-(5-chloroquinolin-8-yl)oxy-N,N-diethylethanamine
CID 146013303
4-[[(5-chloroquinolin-8-yl)amino]methyl]benzonitrile
CID 60927125
2-amino-5-(5-chloroquinolin-8-yl)oxybenzonitrile
CID 115499745
CID 12945983
CID 12945983
4-[2-(2-chloro-5-methylphenoxy)ethoxy]benzonitrile
CID 43213511
3-chloro-2-(5-chloroquinolin-8-yl)oxypyridine-4-carbonitrile
CID 107058861
4-bromo-2-(5-chloroquinolin-8-yl)oxybenzonitrile
CID 114902377

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-chloroquinolin-8-yl)oxyethoxy]benzonitrile?
The IUPAC name of 4-[2-(5-chloroquinolin-8-yl)oxyethoxy]benzonitrile (CID 2216428) is 4-[2-(5-chloroquinolin-8-yl)oxyethoxy]benzonitrile.
What is the SMILES notation for 4-[2-(5-chloroquinolin-8-yl)oxyethoxy]benzonitrile?
The canonical SMILES for 4-[2-(5-chloroquinolin-8-yl)oxyethoxy]benzonitrile is N#Cc1ccc(OCCOc2ccc(Cl)c3cccnc23)cc1.
What is the InChIKey of 4-[2-(5-chloroquinolin-8-yl)oxyethoxy]benzonitrile?
The InChIKey is XPWQZFNUHLBQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O2/c19-16-7-8-17(18-15(16)2-1-9-21-18)23-11-10-22-14-5-3-13(12-20)4-6-14/h1-9H,10-11H2.
What are the key properties of 4-[2-(5-chloroquinolin-8-yl)oxyethoxy]benzonitrile?
4-[2-(5-chloroquinolin-8-yl)oxyethoxy]benzonitrile has a molecular weight of 324.77 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-chloroquinolin-8-yl)oxyethoxy]benzonitrile is sourced from PubChem (CID 2216428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).