(7-chloro-5-fluoroquinolin-8-yl)oxy-bis[(5-fluoroquinolin-8-yl)oxy]alumane

C27H14AlClF3N3O3 — CID 58068087

IUPAC(7-chloro-5-fluoroquinolin-8-yl)oxy-bis[(5-fluoroquinolin-8-yl)oxy]alumane
SMILESFc1ccc(O[Al](Oc2ccc(F)c3cccnc23)Oc2c(Cl)cc(F)c3cccnc23)c2ncccc12
InChIInChI=1S/C9H5ClFNO.2C9H6FNO.Al/c10-6-4-7(11)5-2-1-3-12-8(5)9(6)13;2*10-7-3-4-8(12)9-6(7)2-1-5-11-9;/h1-4,13H;2*1-5,12H;/q;;;+3/p-3
InChIKeyUEYVYUQNCPVXRB-UHFFFAOYSA-K
MW547.86 g/mol
LogP6.92
Rot. Bonds6

About (7-chloro-5-fluoroquinolin-8-yl)oxy-bis[(5-fluoroquinolin-8-yl)oxy]alumane

(7-chloro-5-fluoroquinolin-8-yl)oxy-bis[(5-fluoroquinolin-8-yl)oxy]alumane (PubChem CID 58068087) has the molecular formula C27H14AlClF3N3O3 and a molecular weight of 547.86 g/mol. Its IUPAC name is (7-chloro-5-fluoroquinolin-8-yl)oxy-bis[(5-fluoroquinolin-8-yl)oxy]alumane.

Molecular Properties

Compound Name(7-chloro-5-fluoroquinolin-8-yl)oxy-bis[(5-fluoroquinolin-8-yl)oxy]alumane
PubChem CID58068087
Molecular FormulaC27H14AlClF3N3O3
Molecular Weight547.86 g/mol
Exact Mass547.05
IUPAC Name(7-chloro-5-fluoroquinolin-8-yl)oxy-bis[(5-fluoroquinolin-8-yl)oxy]alumane
SMILESFc1ccc(O[Al](Oc2ccc(F)c3cccnc23)Oc2c(Cl)cc(F)c3cccnc23)c2ncccc12
InChIInChI=1S/C9H5ClFNO.2C9H6FNO.Al/c10-6-4-7(11)5-2-1-3-12-8(5)9(6)13;2*10-7-3-4-8(12)9-6(7)2-1-5-11-9;/h1-4,13H;2*1-5,12H;/q;;;+3/p-3
InChIKeyUEYVYUQNCPVXRB-UHFFFAOYSA-K
XLogP6.92
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.86
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (7-chloro-5-fluoroquinolin-8-yl)oxy-bis[(5-fluoroquinolin-8-yl)oxy]alumane with MolForge

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Related Compounds

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
(2R)-2-(2,3,4,5,6-pentafluorophenyl)-2-[[(2R)-2-(2,3,4,5,6-pentafluorophenyl)-3-oxa-1-azonia-2-boranuidatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-2-yl]oxy]-3-oxa-1-azonia-2-boranuidatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene
CID 139151644
2,3,7,8-Tetrafluoro-5,10-bis(8-oxyquinolinato)-5,10-dihydroboranthrene
CID 168338855
Tris[(5-fluoroquinolin-8-yl)oxy]alumane
CID 58090173
(5-Fluoro-1-methylquinolin-1-ium-8-yl)oxy-bis[(5-fluoroquinolin-8-yl)oxy]alumane
CID 59288622
4-Chloroquinolin-8-ol; 7-chloroquinolin-8-ol
CID 476196
3-Chloroquinolin-8-ol; 7-chloroquinolin-8-ol
CID 476198
7-Chloroquinolin-8-ol; quinolin-8-ol
CID 476210
CID 6338312
CID 6338312

Frequently Asked Questions

What is the IUPAC name of (7-chloro-5-fluoroquinolin-8-yl)oxy-bis[(5-fluoroquinolin-8-yl)oxy]alumane?
The IUPAC name of (7-chloro-5-fluoroquinolin-8-yl)oxy-bis[(5-fluoroquinolin-8-yl)oxy]alumane (CID 58068087) is (7-chloro-5-fluoroquinolin-8-yl)oxy-bis[(5-fluoroquinolin-8-yl)oxy]alumane.
What is the SMILES notation for (7-chloro-5-fluoroquinolin-8-yl)oxy-bis[(5-fluoroquinolin-8-yl)oxy]alumane?
The canonical SMILES for (7-chloro-5-fluoroquinolin-8-yl)oxy-bis[(5-fluoroquinolin-8-yl)oxy]alumane is Fc1ccc(O[Al](Oc2ccc(F)c3cccnc23)Oc2c(Cl)cc(F)c3cccnc23)c2ncccc12.
What is the InChIKey of (7-chloro-5-fluoroquinolin-8-yl)oxy-bis[(5-fluoroquinolin-8-yl)oxy]alumane?
The InChIKey is UEYVYUQNCPVXRB-UHFFFAOYSA-K. The full InChI is InChI=1S/C9H5ClFNO.2C9H6FNO.Al/c10-6-4-7(11)5-2-1-3-12-8(5)9(6)13;2*10-7-3-4-8(12)9-6(7)2-1-5-11-9;/h1-4,13H;2*1-5,12H;/q;;;+3/p-3.
What are the key properties of (7-chloro-5-fluoroquinolin-8-yl)oxy-bis[(5-fluoroquinolin-8-yl)oxy]alumane?
(7-chloro-5-fluoroquinolin-8-yl)oxy-bis[(5-fluoroquinolin-8-yl)oxy]alumane has a molecular weight of 547.86 g/mol, XLogP of 6.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-5-fluoroquinolin-8-yl)oxy-bis[(5-fluoroquinolin-8-yl)oxy]alumane is sourced from PubChem (CID 58068087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).