bis[(7-methylquinolin-8-yl)oxy]alumanyloxy-bis[(7-methylquinolin-8-yl)oxy]alumane

C40H32Al2N4O5 — CID 20678135

IUPACbis[(7-methylquinolin-8-yl)oxy]alumanyloxy-bis[(7-methylquinolin-8-yl)oxy]alumane
SMILESCc1ccc2cccnc2c1O[Al](Oc1c(C)ccc2cccnc12)O[Al](Oc1c(C)ccc2cccnc12)Oc1c(C)ccc2cccnc12
InChIInChI=1S/4C10H9NO.2Al.O/c4*1-7-4-5-8-3-2-6-11-9(8)10(7)12;;;/h4*2-6,12H,1H3;;;/q;;;;2*+2;/p-4
InChIKeyGCMMSMZDZFQIHN-UHFFFAOYSA-J
MW702.68 g/mol
LogP8.72
Rot. Bonds10

About bis[(7-methylquinolin-8-yl)oxy]alumanyloxy-bis[(7-methylquinolin-8-yl)oxy]alumane

bis[(7-methylquinolin-8-yl)oxy]alumanyloxy-bis[(7-methylquinolin-8-yl)oxy]alumane (PubChem CID 20678135) has the molecular formula C40H32Al2N4O5 and a molecular weight of 702.68 g/mol. Its IUPAC name is bis[(7-methylquinolin-8-yl)oxy]alumanyloxy-bis[(7-methylquinolin-8-yl)oxy]alumane.

Molecular Properties

Compound Namebis[(7-methylquinolin-8-yl)oxy]alumanyloxy-bis[(7-methylquinolin-8-yl)oxy]alumane
PubChem CID20678135
Molecular FormulaC40H32Al2N4O5
Molecular Weight702.68 g/mol
Exact Mass702.20
IUPAC Namebis[(7-methylquinolin-8-yl)oxy]alumanyloxy-bis[(7-methylquinolin-8-yl)oxy]alumane
SMILESCc1ccc2cccnc2c1O[Al](Oc1c(C)ccc2cccnc12)O[Al](Oc1c(C)ccc2cccnc12)Oc1c(C)ccc2cccnc12
InChIInChI=1S/4C10H9NO.2Al.O/c4*1-7-4-5-8-3-2-6-11-9(8)10(7)12;;;/h4*2-6,12H,1H3;;;/q;;;;2*+2;/p-4
InChIKeyGCMMSMZDZFQIHN-UHFFFAOYSA-J
XLogP8.72
TPSA97.71 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.68
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze bis[(7-methylquinolin-8-yl)oxy]alumanyloxy-bis[(7-methylquinolin-8-yl)oxy]alumane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis[(7-methylquinolin-8-yl)oxy]alumanyloxy-bis[(7-methylquinolin-8-yl)oxy]alumane?
The IUPAC name of bis[(7-methylquinolin-8-yl)oxy]alumanyloxy-bis[(7-methylquinolin-8-yl)oxy]alumane (CID 20678135) is bis[(7-methylquinolin-8-yl)oxy]alumanyloxy-bis[(7-methylquinolin-8-yl)oxy]alumane.
What is the SMILES notation for bis[(7-methylquinolin-8-yl)oxy]alumanyloxy-bis[(7-methylquinolin-8-yl)oxy]alumane?
The canonical SMILES for bis[(7-methylquinolin-8-yl)oxy]alumanyloxy-bis[(7-methylquinolin-8-yl)oxy]alumane is Cc1ccc2cccnc2c1O[Al](Oc1c(C)ccc2cccnc12)O[Al](Oc1c(C)ccc2cccnc12)Oc1c(C)ccc2cccnc12.
What is the InChIKey of bis[(7-methylquinolin-8-yl)oxy]alumanyloxy-bis[(7-methylquinolin-8-yl)oxy]alumane?
The InChIKey is GCMMSMZDZFQIHN-UHFFFAOYSA-J. The full InChI is InChI=1S/4C10H9NO.2Al.O/c4*1-7-4-5-8-3-2-6-11-9(8)10(7)12;;;/h4*2-6,12H,1H3;;;/q;;;;2*+2;/p-4.
What are the key properties of bis[(7-methylquinolin-8-yl)oxy]alumanyloxy-bis[(7-methylquinolin-8-yl)oxy]alumane?
bis[(7-methylquinolin-8-yl)oxy]alumanyloxy-bis[(7-methylquinolin-8-yl)oxy]alumane has a molecular weight of 702.68 g/mol, XLogP of 8.72, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(7-methylquinolin-8-yl)oxy]alumanyloxy-bis[(7-methylquinolin-8-yl)oxy]alumane is sourced from PubChem (CID 20678135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).