aluminum tris(4-methylquinoline-8-carboxylate)

C33H24AlN3O6 — CID 23160254

IUPACaluminum tris(4-methylquinoline-8-carboxylate)
SMILESCc1ccnc2c(C(=O)[O-])cccc12.Cc1ccnc2c(C(=O)[O-])cccc12.Cc1ccnc2c(C(=O)[O-])cccc12.[Al+3]
InChIInChI=1S/3C11H9NO2.Al/c3*1-7-5-6-12-10-8(7)3-2-4-9(10)11(13)14;/h3*2-6H,1H3,(H,13,14);/q;;;+3/p-3
InChIKeyZCQQLNIJXKORPM-UHFFFAOYSA-K
MW585.55 g/mol
LogP2.34
Rot. Bonds3

About aluminum tris(4-methylquinoline-8-carboxylate)

aluminum tris(4-methylquinoline-8-carboxylate) (PubChem CID 23160254) has the molecular formula C33H24AlN3O6 and a molecular weight of 585.55 g/mol. Its IUPAC name is aluminum tris(4-methylquinoline-8-carboxylate).

Molecular Properties

Compound Namealuminum tris(4-methylquinoline-8-carboxylate)
PubChem CID23160254
Molecular FormulaC33H24AlN3O6
Molecular Weight585.55 g/mol
Exact Mass585.15
IUPAC Namealuminum tris(4-methylquinoline-8-carboxylate)
SMILESCc1ccnc2c(C(=O)[O-])cccc12.Cc1ccnc2c(C(=O)[O-])cccc12.Cc1ccnc2c(C(=O)[O-])cccc12.[Al+3]
InChIInChI=1S/3C11H9NO2.Al/c3*1-7-5-6-12-10-8(7)3-2-4-9(10)11(13)14;/h3*2-6H,1H3,(H,13,14);/q;;;+3/p-3
InChIKeyZCQQLNIJXKORPM-UHFFFAOYSA-K
XLogP2.34
TPSA159.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.55
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(Pyridin-4-yl)quinoline-4-carboxylic acid
CID 26587
8-Quinolinecarboxylic acid
CID 66582
Cinchoninic acid, 2-(3-pyridyl)-
CID 24067
ethyl 4-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzoate
CID 53492819
4-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzoic acid
CID 53494803
8-Methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
CID 3768281
Cinchoninic acid, 6-methyl-2-(3-pyridyl)-
CID 21187
Ethyl 8-oxo-6,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),3,5,9,11,13(21),14,16,18-decaene-4-carboxylate
CID 11100338
5-(4-Fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252842
5-(3-Fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252992
5-(2-Fluorophenyl)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25252995
5-Phenylbenzo[c][2,6]naphthyridine-8-carboxylic acid
CID 25253303

Frequently Asked Questions

What is the IUPAC name of aluminum tris(4-methylquinoline-8-carboxylate)?
The IUPAC name of aluminum tris(4-methylquinoline-8-carboxylate) (CID 23160254) is aluminum tris(4-methylquinoline-8-carboxylate).
What is the SMILES notation for aluminum tris(4-methylquinoline-8-carboxylate)?
The canonical SMILES for aluminum tris(4-methylquinoline-8-carboxylate) is Cc1ccnc2c(C(=O)[O-])cccc12.Cc1ccnc2c(C(=O)[O-])cccc12.Cc1ccnc2c(C(=O)[O-])cccc12.[Al+3].
What is the InChIKey of aluminum tris(4-methylquinoline-8-carboxylate)?
The InChIKey is ZCQQLNIJXKORPM-UHFFFAOYSA-K. The full InChI is InChI=1S/3C11H9NO2.Al/c3*1-7-5-6-12-10-8(7)3-2-4-9(10)11(13)14;/h3*2-6H,1H3,(H,13,14);/q;;;+3/p-3.
What are the key properties of aluminum tris(4-methylquinoline-8-carboxylate)?
aluminum tris(4-methylquinoline-8-carboxylate) has a molecular weight of 585.55 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(4-methylquinoline-8-carboxylate) is sourced from PubChem (CID 23160254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).