11-quinolin-8-yloxy-10,12-dioxa-3-aza-11-aluminatetracyclo[11.8.0.04,9.015,20]henicosa-1(21),2,4,6,8,13,15,17,19-nonaene

C26H17AlN2O3 — CID 22085047

IUPAC11-quinolin-8-yloxy-10,12-dioxa-3-aza-11-aluminatetracyclo[11.8.0.04,9.015,20]henicosa-1(21),2,4,6,8,13,15,17,19-nonaene
SMILESC1=N/c2ccccc2O[Al](Oc2cccc3cccnc23)Oc2cc3ccccc3cc2/1
InChIInChI=1S/C17H13NO2.C9H7NO.Al/c19-16-8-4-3-7-15(16)18-11-14-9-12-5-1-2-6-13(12)10-17(14)20;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-11,19-20H;1-6,11H;/q;;+3/p-3/b18-11+;;
InChIKeyGMLCUJGQTXSQJZ-UMVVUDSKSA-K
MW432.42 g/mol
LogP5.97
Rot. Bonds2

About 11-quinolin-8-yloxy-10,12-dioxa-3-aza-11-aluminatetracyclo[11.8.0.04,9.015,20]henicosa-1(21),2,4,6,8,13,15,17,19-nonaene

11-quinolin-8-yloxy-10,12-dioxa-3-aza-11-aluminatetracyclo[11.8.0.04,9.015,20]henicosa-1(21),2,4,6,8,13,15,17,19-nonaene (PubChem CID 22085047) has the molecular formula C26H17AlN2O3 and a molecular weight of 432.42 g/mol. Its IUPAC name is 11-quinolin-8-yloxy-10,12-dioxa-3-aza-11-aluminatetracyclo[11.8.0.04,9.015,20]henicosa-1(21),2,4,6,8,13,15,17,19-nonaene.

Molecular Properties

Compound Name11-quinolin-8-yloxy-10,12-dioxa-3-aza-11-aluminatetracyclo[11.8.0.04,9.015,20]henicosa-1(21),2,4,6,8,13,15,17,19-nonaene
PubChem CID22085047
Molecular FormulaC26H17AlN2O3
Molecular Weight432.42 g/mol
Exact Mass432.11
IUPAC Name11-quinolin-8-yloxy-10,12-dioxa-3-aza-11-aluminatetracyclo[11.8.0.04,9.015,20]henicosa-1(21),2,4,6,8,13,15,17,19-nonaene
SMILESC1=N/c2ccccc2O[Al](Oc2cccc3cccnc23)Oc2cc3ccccc3cc2/1
InChIInChI=1S/C17H13NO2.C9H7NO.Al/c19-16-8-4-3-7-15(16)18-11-14-9-12-5-1-2-6-13(12)10-17(14)20;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-11,19-20H;1-6,11H;/q;;+3/p-3/b18-11+;;
InChIKeyGMLCUJGQTXSQJZ-UMVVUDSKSA-K
XLogP5.97
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.42
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-quinolin-8-yloxy-10,12-dioxa-3-aza-11-aluminatetracyclo[11.8.0.04,9.015,20]henicosa-1(21),2,4,6,8,13,15,17,19-nonaene with MolForge

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Related Compounds

Tris-(8-hydroxyquinoline)aluminum
CID 16683111
Cunilate
CID 56840841
5-[[(8-Hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol
CID 25268547
5-(Indol-1-ylmethyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145965949
5-[(7-Methylindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145967324
5-[(6-Fluoroindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145972499
5-[(5-Fluoroindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145975872
5-[(2-Methylindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145976281
5-[(4-Fluoroindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145976969
5-[(2,3-Dimethylindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145977840
5-[(7-Fluoroindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145966841
5-[(2-Ethylindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145972778

Frequently Asked Questions

What is the IUPAC name of 11-quinolin-8-yloxy-10,12-dioxa-3-aza-11-aluminatetracyclo[11.8.0.04,9.015,20]henicosa-1(21),2,4,6,8,13,15,17,19-nonaene?
The IUPAC name of 11-quinolin-8-yloxy-10,12-dioxa-3-aza-11-aluminatetracyclo[11.8.0.04,9.015,20]henicosa-1(21),2,4,6,8,13,15,17,19-nonaene (CID 22085047) is 11-quinolin-8-yloxy-10,12-dioxa-3-aza-11-aluminatetracyclo[11.8.0.04,9.015,20]henicosa-1(21),2,4,6,8,13,15,17,19-nonaene.
What is the SMILES notation for 11-quinolin-8-yloxy-10,12-dioxa-3-aza-11-aluminatetracyclo[11.8.0.04,9.015,20]henicosa-1(21),2,4,6,8,13,15,17,19-nonaene?
The canonical SMILES for 11-quinolin-8-yloxy-10,12-dioxa-3-aza-11-aluminatetracyclo[11.8.0.04,9.015,20]henicosa-1(21),2,4,6,8,13,15,17,19-nonaene is C1=N/c2ccccc2O[Al](Oc2cccc3cccnc23)Oc2cc3ccccc3cc2/1.
What is the InChIKey of 11-quinolin-8-yloxy-10,12-dioxa-3-aza-11-aluminatetracyclo[11.8.0.04,9.015,20]henicosa-1(21),2,4,6,8,13,15,17,19-nonaene?
The InChIKey is GMLCUJGQTXSQJZ-UMVVUDSKSA-K. The full InChI is InChI=1S/C17H13NO2.C9H7NO.Al/c19-16-8-4-3-7-15(16)18-11-14-9-12-5-1-2-6-13(12)10-17(14)20;11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-11,19-20H;1-6,11H;/q;;+3/p-3/b18-11+;;.
What are the key properties of 11-quinolin-8-yloxy-10,12-dioxa-3-aza-11-aluminatetracyclo[11.8.0.04,9.015,20]henicosa-1(21),2,4,6,8,13,15,17,19-nonaene?
11-quinolin-8-yloxy-10,12-dioxa-3-aza-11-aluminatetracyclo[11.8.0.04,9.015,20]henicosa-1(21),2,4,6,8,13,15,17,19-nonaene has a molecular weight of 432.42 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-quinolin-8-yloxy-10,12-dioxa-3-aza-11-aluminatetracyclo[11.8.0.04,9.015,20]henicosa-1(21),2,4,6,8,13,15,17,19-nonaene is sourced from PubChem (CID 22085047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).