bis[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)oxy]alumanyl 8-hydroxy-2-oxo-1H-quinoline-3-carboxylate

C30H18AlN3O12 — CID 140508403

IUPACbis[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)oxy]alumanyl 8-hydroxy-2-oxo-1H-quinoline-3-carboxylate
SMILESO=C(O[Al](OC(=O)c1cc2cccc(O)c2[nH]c1=O)OC(=O)c1cc2cccc(O)c2[nH]c1=O)c1cc2cccc(O)c2[nH]c1=O
InChIInChI=1S/3C10H7NO4.Al/c3*12-7-3-1-2-5-4-6(10(14)15)9(13)11-8(5)7;/h3*1-4,12H,(H,11,13)(H,14,15);/q;;;+3/p-3
InChIKeyWKWKNMUMKQDFOL-UHFFFAOYSA-K
MW639.47 g/mol
LogP2.18
Rot. Bonds6

About bis[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)oxy]alumanyl 8-hydroxy-2-oxo-1H-quinoline-3-carboxylate

bis[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)oxy]alumanyl 8-hydroxy-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 140508403) has the molecular formula C30H18AlN3O12 and a molecular weight of 639.47 g/mol. Its IUPAC name is bis[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)oxy]alumanyl 8-hydroxy-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Namebis[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)oxy]alumanyl 8-hydroxy-2-oxo-1H-quinoline-3-carboxylate
PubChem CID140508403
Molecular FormulaC30H18AlN3O12
Molecular Weight639.47 g/mol
Exact Mass639.07
IUPAC Namebis[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)oxy]alumanyl 8-hydroxy-2-oxo-1H-quinoline-3-carboxylate
SMILESO=C(O[Al](OC(=O)c1cc2cccc(O)c2[nH]c1=O)OC(=O)c1cc2cccc(O)c2[nH]c1=O)c1cc2cccc(O)c2[nH]c1=O
InChIInChI=1S/3C10H7NO4.Al/c3*12-7-3-1-2-5-4-6(10(14)15)9(13)11-8(5)7;/h3*1-4,12H,(H,11,13)(H,14,15);/q;;;+3/p-3
InChIKeyWKWKNMUMKQDFOL-UHFFFAOYSA-K
XLogP2.18
TPSA238.17 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500639.47
LogP ≤ 52.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of bis[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)oxy]alumanyl 8-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of bis[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)oxy]alumanyl 8-hydroxy-2-oxo-1H-quinoline-3-carboxylate (CID 140508403) is bis[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)oxy]alumanyl 8-hydroxy-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for bis[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)oxy]alumanyl 8-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for bis[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)oxy]alumanyl 8-hydroxy-2-oxo-1H-quinoline-3-carboxylate is O=C(O[Al](OC(=O)c1cc2cccc(O)c2[nH]c1=O)OC(=O)c1cc2cccc(O)c2[nH]c1=O)c1cc2cccc(O)c2[nH]c1=O.
What is the InChIKey of bis[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)oxy]alumanyl 8-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is WKWKNMUMKQDFOL-UHFFFAOYSA-K. The full InChI is InChI=1S/3C10H7NO4.Al/c3*12-7-3-1-2-5-4-6(10(14)15)9(13)11-8(5)7;/h3*1-4,12H,(H,11,13)(H,14,15);/q;;;+3/p-3.
What are the key properties of bis[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)oxy]alumanyl 8-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
bis[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)oxy]alumanyl 8-hydroxy-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 639.47 g/mol, XLogP of 2.18, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(8-hydroxy-2-oxo-1H-quinoline-3-carbonyl)oxy]alumanyl 8-hydroxy-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 140508403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).