bis[(5,7-dichloroquinolin-8-yl)oxy]-quinolin-8-yloxyalumane

C27H14AlCl4N3O3 — CID 140661111

IUPACbis[(5,7-dichloroquinolin-8-yl)oxy]-quinolin-8-yloxyalumane
SMILESClc1cc(Cl)c2cccnc2c1O[Al](Oc1cccc2cccnc12)Oc1c(Cl)cc(Cl)c2cccnc12
InChIInChI=1S/2C9H5Cl2NO.C9H7NO.Al/c2*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-4,13H;1-6,11H;/q;;;+3/p-3
InChIKeyGXUFPOBVMYVXFY-UHFFFAOYSA-K
MW597.22 g/mol
LogP8.47
Rot. Bonds6

About bis[(5,7-dichloroquinolin-8-yl)oxy]-quinolin-8-yloxyalumane

bis[(5,7-dichloroquinolin-8-yl)oxy]-quinolin-8-yloxyalumane (PubChem CID 140661111) has the molecular formula C27H14AlCl4N3O3 and a molecular weight of 597.22 g/mol. Its IUPAC name is bis[(5,7-dichloroquinolin-8-yl)oxy]-quinolin-8-yloxyalumane.

Molecular Properties

Compound Namebis[(5,7-dichloroquinolin-8-yl)oxy]-quinolin-8-yloxyalumane
PubChem CID140661111
Molecular FormulaC27H14AlCl4N3O3
Molecular Weight597.22 g/mol
Exact Mass594.96
IUPAC Namebis[(5,7-dichloroquinolin-8-yl)oxy]-quinolin-8-yloxyalumane
SMILESClc1cc(Cl)c2cccnc2c1O[Al](Oc1cccc2cccnc12)Oc1c(Cl)cc(Cl)c2cccnc12
InChIInChI=1S/2C9H5Cl2NO.C9H7NO.Al/c2*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-4,13H;1-6,11H;/q;;;+3/p-3
InChIKeyGXUFPOBVMYVXFY-UHFFFAOYSA-K
XLogP8.47
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.22
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Halquinol
CID 24690
Tris(5,7-dichloroquinolin-8-olato-N1,O8)aluminium
CID 16685322
Aluminum tris(5,7-dichloroquinolin-8-olate)
CID 22660347
tri(quinolin-8-yloxy)(111In)indigane
CID 16682728
(2R)-7-chloro-2-(2-fluoro-3-pyridinyl)-2-phenyl-3-oxa-1-azonia-2-boranuidatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene
CID 139140160
(4-Chlorophenyl)-(5,7-dichloroquinolin-8-yl)oxy-(3-fluorophenyl)borane
CID 11654875
(7-Chloro-5-fluoroquinolin-8-yl)oxy-bis[(5-fluoroquinolin-8-yl)oxy]alumane
CID 58068087
Tris[(5-fluoroquinolin-8-yl)oxy]alumane
CID 58090173
5,7-Dichloroquinolin-8-yl piperidine-1-sulfonate
CID 11841639
5-Chloroquinolin-8-ol; 7-chloroquinolin-8-ol
CID 476194
4-Chloroquinolin-8-ol; 7-chloroquinolin-8-ol
CID 476196
3-Chloroquinolin-8-ol; 7-chloroquinolin-8-ol
CID 476198

Frequently Asked Questions

What is the IUPAC name of bis[(5,7-dichloroquinolin-8-yl)oxy]-quinolin-8-yloxyalumane?
The IUPAC name of bis[(5,7-dichloroquinolin-8-yl)oxy]-quinolin-8-yloxyalumane (CID 140661111) is bis[(5,7-dichloroquinolin-8-yl)oxy]-quinolin-8-yloxyalumane.
What is the SMILES notation for bis[(5,7-dichloroquinolin-8-yl)oxy]-quinolin-8-yloxyalumane?
The canonical SMILES for bis[(5,7-dichloroquinolin-8-yl)oxy]-quinolin-8-yloxyalumane is Clc1cc(Cl)c2cccnc2c1O[Al](Oc1cccc2cccnc12)Oc1c(Cl)cc(Cl)c2cccnc12.
What is the InChIKey of bis[(5,7-dichloroquinolin-8-yl)oxy]-quinolin-8-yloxyalumane?
The InChIKey is GXUFPOBVMYVXFY-UHFFFAOYSA-K. The full InChI is InChI=1S/2C9H5Cl2NO.C9H7NO.Al/c2*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-4,13H;1-6,11H;/q;;;+3/p-3.
What are the key properties of bis[(5,7-dichloroquinolin-8-yl)oxy]-quinolin-8-yloxyalumane?
bis[(5,7-dichloroquinolin-8-yl)oxy]-quinolin-8-yloxyalumane has a molecular weight of 597.22 g/mol, XLogP of 8.47, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(5,7-dichloroquinolin-8-yl)oxy]-quinolin-8-yloxyalumane is sourced from PubChem (CID 140661111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).