N-di(quinolin-8-yloxy)alumanylquinolin-8-amine

C27H19AlN4O2 — CID 58262063

IUPACN-di(quinolin-8-yloxy)alumanylquinolin-8-amine
SMILESc1cnc2c(N[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C9H7N2.2C9H7NO.Al/c10-8-5-1-3-7-4-2-6-11-9(7)8;2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6,10H;2*1-6,11H;/q-1;;;+3/p-2
InChIKeyRHDWFPQKFVIWEB-UHFFFAOYSA-L
MW458.46 g/mol
LogP5.89
Rot. Bonds6

About N-di(quinolin-8-yloxy)alumanylquinolin-8-amine

N-di(quinolin-8-yloxy)alumanylquinolin-8-amine (PubChem CID 58262063) has the molecular formula C27H19AlN4O2 and a molecular weight of 458.46 g/mol. Its IUPAC name is N-di(quinolin-8-yloxy)alumanylquinolin-8-amine.

Molecular Properties

Compound NameN-di(quinolin-8-yloxy)alumanylquinolin-8-amine
PubChem CID58262063
Molecular FormulaC27H19AlN4O2
Molecular Weight458.46 g/mol
Exact Mass458.13
IUPAC NameN-di(quinolin-8-yloxy)alumanylquinolin-8-amine
SMILESc1cnc2c(N[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C9H7N2.2C9H7NO.Al/c10-8-5-1-3-7-4-2-6-11-9(7)8;2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6,10H;2*1-6,11H;/q-1;;;+3/p-2
InChIKeyRHDWFPQKFVIWEB-UHFFFAOYSA-L
XLogP5.89
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.46
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Tris-(8-hydroxyquinoline)aluminum
CID 16683111
Indium In-111 Oxyquinoline
CID 119117
Cunilate
CID 56840841
Tris(8-hydroxyquinolinato)gallium
CID 9806063
Indium oxine
CID 3034762
Gallium 8-hydroxyquinolinate
CID 16686135
Antimony, tris(8-quinolinolato)-(6CI,8CI)
CID 212015
Bismuth quinolin-8-olate
CID 16685998
Diisopropoxybis(chinoline-8-olato)titanium(IV)
CID 24202322
Zinc 8-hydroxyquinolinate
CID 162394451
(T-4)-Bis(8-quinolinolato-I masculineN1,I masculineO8)manganese
CID 171041055
tri(quinolin-8-yloxy)(111In)indigane
CID 16682728

Frequently Asked Questions

What is the IUPAC name of N-di(quinolin-8-yloxy)alumanylquinolin-8-amine?
The IUPAC name of N-di(quinolin-8-yloxy)alumanylquinolin-8-amine (CID 58262063) is N-di(quinolin-8-yloxy)alumanylquinolin-8-amine.
What is the SMILES notation for N-di(quinolin-8-yloxy)alumanylquinolin-8-amine?
The canonical SMILES for N-di(quinolin-8-yloxy)alumanylquinolin-8-amine is c1cnc2c(N[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1.
What is the InChIKey of N-di(quinolin-8-yloxy)alumanylquinolin-8-amine?
The InChIKey is RHDWFPQKFVIWEB-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H7N2.2C9H7NO.Al/c10-8-5-1-3-7-4-2-6-11-9(7)8;2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6,10H;2*1-6,11H;/q-1;;;+3/p-2.
What are the key properties of N-di(quinolin-8-yloxy)alumanylquinolin-8-amine?
N-di(quinolin-8-yloxy)alumanylquinolin-8-amine has a molecular weight of 458.46 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-di(quinolin-8-yloxy)alumanylquinolin-8-amine is sourced from PubChem (CID 58262063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).