bis[(4-methylquinolin-8-yl)oxy]-[(4-methylquinolin-8-yl)oxymethyl]alumane

C31H26AlN3O3 — CID 58918186

IUPACbis[(4-methylquinolin-8-yl)oxy]-[(4-methylquinolin-8-yl)oxymethyl]alumane
SMILESCc1ccnc2c(OC[Al](Oc3cccc4c(C)ccnc34)Oc3cccc4c(C)ccnc34)cccc12
InChIInChI=1S/C11H10NO.2C10H9NO.Al/c1-8-6-7-12-11-9(8)4-3-5-10(11)13-2;2*1-7-5-6-11-10-8(7)3-2-4-9(10)12;/h3-7H,2H2,1H3;2*2-6,12H,1H3;/q;;;+2/p-2
InChIKeyHSWRTCJANKXKDE-UHFFFAOYSA-L
MW515.55 g/mol
LogP6.82
Rot. Bonds7

About bis[(4-methylquinolin-8-yl)oxy]-[(4-methylquinolin-8-yl)oxymethyl]alumane

bis[(4-methylquinolin-8-yl)oxy]-[(4-methylquinolin-8-yl)oxymethyl]alumane (PubChem CID 58918186) has the molecular formula C31H26AlN3O3 and a molecular weight of 515.55 g/mol. Its IUPAC name is bis[(4-methylquinolin-8-yl)oxy]-[(4-methylquinolin-8-yl)oxymethyl]alumane.

Molecular Properties

Compound Namebis[(4-methylquinolin-8-yl)oxy]-[(4-methylquinolin-8-yl)oxymethyl]alumane
PubChem CID58918186
Molecular FormulaC31H26AlN3O3
Molecular Weight515.55 g/mol
Exact Mass515.18
IUPAC Namebis[(4-methylquinolin-8-yl)oxy]-[(4-methylquinolin-8-yl)oxymethyl]alumane
SMILESCc1ccnc2c(OC[Al](Oc3cccc4c(C)ccnc34)Oc3cccc4c(C)ccnc34)cccc12
InChIInChI=1S/C11H10NO.2C10H9NO.Al/c1-8-6-7-12-11-9(8)4-3-5-10(11)13-2;2*1-7-5-6-11-10-8(7)3-2-4-9(10)12;/h3-7H,2H2,1H3;2*2-6,12H,1H3;/q;;;+2/p-2
InChIKeyHSWRTCJANKXKDE-UHFFFAOYSA-L
XLogP6.82
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.55
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of bis[(4-methylquinolin-8-yl)oxy]-[(4-methylquinolin-8-yl)oxymethyl]alumane?
The IUPAC name of bis[(4-methylquinolin-8-yl)oxy]-[(4-methylquinolin-8-yl)oxymethyl]alumane (CID 58918186) is bis[(4-methylquinolin-8-yl)oxy]-[(4-methylquinolin-8-yl)oxymethyl]alumane.
What is the SMILES notation for bis[(4-methylquinolin-8-yl)oxy]-[(4-methylquinolin-8-yl)oxymethyl]alumane?
The canonical SMILES for bis[(4-methylquinolin-8-yl)oxy]-[(4-methylquinolin-8-yl)oxymethyl]alumane is Cc1ccnc2c(OC[Al](Oc3cccc4c(C)ccnc34)Oc3cccc4c(C)ccnc34)cccc12.
What is the InChIKey of bis[(4-methylquinolin-8-yl)oxy]-[(4-methylquinolin-8-yl)oxymethyl]alumane?
The InChIKey is HSWRTCJANKXKDE-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H10NO.2C10H9NO.Al/c1-8-6-7-12-11-9(8)4-3-5-10(11)13-2;2*1-7-5-6-11-10-8(7)3-2-4-9(10)12;/h3-7H,2H2,1H3;2*2-6,12H,1H3;/q;;;+2/p-2.
What are the key properties of bis[(4-methylquinolin-8-yl)oxy]-[(4-methylquinolin-8-yl)oxymethyl]alumane?
bis[(4-methylquinolin-8-yl)oxy]-[(4-methylquinolin-8-yl)oxymethyl]alumane has a molecular weight of 515.55 g/mol, XLogP of 6.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(4-methylquinolin-8-yl)oxy]-[(4-methylquinolin-8-yl)oxymethyl]alumane is sourced from PubChem (CID 58918186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).