(5,7-dichloro-1-methylquinolin-1-ium-8-yl)oxy-bis[(5,7-dichloroquinolin-8-yl)oxy]alumane

C28H15AlCl6N3O3+ — CID 59288628

IUPAC(5,7-dichloro-1-methylquinolin-1-ium-8-yl)oxy-bis[(5,7-dichloroquinolin-8-yl)oxy]alumane
SMILESC[n+]1cccc2c(Cl)cc(Cl)c(O[Al](Oc3c(Cl)cc(Cl)c4cccnc34)Oc3c(Cl)cc(Cl)c4cccnc34)c21
InChIInChI=1S/C10H7Cl2NO.2C9H5Cl2NO.Al/c1-13-4-2-3-6-7(11)5-8(12)10(14)9(6)13;2*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h2-5H,1H3;2*1-4,13H;/q;;;+3/p-2
InChIKeyUUTXELHAFICDKJ-UHFFFAOYSA-L
MW681.15 g/mol
LogP9.20
Rot. Bonds6

About (5,7-dichloro-1-methylquinolin-1-ium-8-yl)oxy-bis[(5,7-dichloroquinolin-8-yl)oxy]alumane

(5,7-dichloro-1-methylquinolin-1-ium-8-yl)oxy-bis[(5,7-dichloroquinolin-8-yl)oxy]alumane (PubChem CID 59288628) has the molecular formula C28H15AlCl6N3O3+ and a molecular weight of 681.15 g/mol. Its IUPAC name is (5,7-dichloro-1-methylquinolin-1-ium-8-yl)oxy-bis[(5,7-dichloroquinolin-8-yl)oxy]alumane.

Molecular Properties

Compound Name(5,7-dichloro-1-methylquinolin-1-ium-8-yl)oxy-bis[(5,7-dichloroquinolin-8-yl)oxy]alumane
PubChem CID59288628
Molecular FormulaC28H15AlCl6N3O3+
Molecular Weight681.15 g/mol
Exact Mass677.91
IUPAC Name(5,7-dichloro-1-methylquinolin-1-ium-8-yl)oxy-bis[(5,7-dichloroquinolin-8-yl)oxy]alumane
SMILESC[n+]1cccc2c(Cl)cc(Cl)c(O[Al](Oc3c(Cl)cc(Cl)c4cccnc34)Oc3c(Cl)cc(Cl)c4cccnc34)c21
InChIInChI=1S/C10H7Cl2NO.2C9H5Cl2NO.Al/c1-13-4-2-3-6-7(11)5-8(12)10(14)9(6)13;2*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h2-5H,1H3;2*1-4,13H;/q;;;+3/p-2
InChIKeyUUTXELHAFICDKJ-UHFFFAOYSA-L
XLogP9.20
TPSA57.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.15
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (5,7-dichloro-1-methylquinolin-1-ium-8-yl)oxy-bis[(5,7-dichloroquinolin-8-yl)oxy]alumane with MolForge

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Launch Full Analysis

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
(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
5,7-Dichloro-8-[(5,5'-ditert-butyl-2,2'-spirobi[1,3,2lambda5-benzodioxaphosphole]-2-yl)oxy]quinoline
CID 360386
(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
(5-Fluoro-1-methylquinolin-1-ium-8-yl)oxy-bis[(5-fluoroquinolin-8-yl)oxy]alumane
CID 59288622
5,7-Dichloroquinolin-8-yl piperidine-1-sulfonate
CID 11841639
5-Chloroquinolin-8-ol; 7-chloroquinolin-8-ol
CID 476194
CID 6338312
CID 6338312
CID 58090172
CID 58090172

Frequently Asked Questions

What is the IUPAC name of (5,7-dichloro-1-methylquinolin-1-ium-8-yl)oxy-bis[(5,7-dichloroquinolin-8-yl)oxy]alumane?
The IUPAC name of (5,7-dichloro-1-methylquinolin-1-ium-8-yl)oxy-bis[(5,7-dichloroquinolin-8-yl)oxy]alumane (CID 59288628) is (5,7-dichloro-1-methylquinolin-1-ium-8-yl)oxy-bis[(5,7-dichloroquinolin-8-yl)oxy]alumane.
What is the SMILES notation for (5,7-dichloro-1-methylquinolin-1-ium-8-yl)oxy-bis[(5,7-dichloroquinolin-8-yl)oxy]alumane?
The canonical SMILES for (5,7-dichloro-1-methylquinolin-1-ium-8-yl)oxy-bis[(5,7-dichloroquinolin-8-yl)oxy]alumane is C[n+]1cccc2c(Cl)cc(Cl)c(O[Al](Oc3c(Cl)cc(Cl)c4cccnc34)Oc3c(Cl)cc(Cl)c4cccnc34)c21.
What is the InChIKey of (5,7-dichloro-1-methylquinolin-1-ium-8-yl)oxy-bis[(5,7-dichloroquinolin-8-yl)oxy]alumane?
The InChIKey is UUTXELHAFICDKJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H7Cl2NO.2C9H5Cl2NO.Al/c1-13-4-2-3-6-7(11)5-8(12)10(14)9(6)13;2*10-6-4-7(11)9(13)8-5(6)2-1-3-12-8;/h2-5H,1H3;2*1-4,13H;/q;;;+3/p-2.
What are the key properties of (5,7-dichloro-1-methylquinolin-1-ium-8-yl)oxy-bis[(5,7-dichloroquinolin-8-yl)oxy]alumane?
(5,7-dichloro-1-methylquinolin-1-ium-8-yl)oxy-bis[(5,7-dichloroquinolin-8-yl)oxy]alumane has a molecular weight of 681.15 g/mol, XLogP of 9.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dichloro-1-methylquinolin-1-ium-8-yl)oxy-bis[(5,7-dichloroquinolin-8-yl)oxy]alumane is sourced from PubChem (CID 59288628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).