molybdenum;tetrakis(quinoline-2-carboxylic acid)

C40H28MoN4O8 — CID 172636275

IUPACmolybdenum;tetrakis(quinoline-2-carboxylic acid)
SMILESO=C(O)c1ccc2ccccc2n1.O=C(O)c1ccc2ccccc2n1.O=C(O)c1ccc2ccccc2n1.O=C(O)c1ccc2ccccc2n1.[Mo]
InChIInChI=1S/4C10H7NO2.Mo/c4*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;/h4*1-6H,(H,12,13);
InChIKeyFYNSPHJWZWXUOX-UHFFFAOYSA-N
MW788.62 g/mol
LogP7.73
Rot. Bonds4

About molybdenum;tetrakis(quinoline-2-carboxylic acid)

molybdenum;tetrakis(quinoline-2-carboxylic acid) (PubChem CID 172636275) has the molecular formula C40H28MoN4O8 and a molecular weight of 788.62 g/mol. Its IUPAC name is molybdenum;tetrakis(quinoline-2-carboxylic acid).

Molecular Properties

Compound Namemolybdenum;tetrakis(quinoline-2-carboxylic acid)
PubChem CID172636275
Molecular FormulaC40H28MoN4O8
Molecular Weight788.62 g/mol
Exact Mass790.10
IUPAC Namemolybdenum;tetrakis(quinoline-2-carboxylic acid)
SMILESO=C(O)c1ccc2ccccc2n1.O=C(O)c1ccc2ccccc2n1.O=C(O)c1ccc2ccccc2n1.O=C(O)c1ccc2ccccc2n1.[Mo]
InChIInChI=1S/4C10H7NO2.Mo/c4*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;/h4*1-6H,(H,12,13);
InChIKeyFYNSPHJWZWXUOX-UHFFFAOYSA-N
XLogP7.73
TPSA200.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.62
LogP ≤ 57.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of molybdenum;tetrakis(quinoline-2-carboxylic acid)?
The IUPAC name of molybdenum;tetrakis(quinoline-2-carboxylic acid) (CID 172636275) is molybdenum;tetrakis(quinoline-2-carboxylic acid).
What is the SMILES notation for molybdenum;tetrakis(quinoline-2-carboxylic acid)?
The canonical SMILES for molybdenum;tetrakis(quinoline-2-carboxylic acid) is O=C(O)c1ccc2ccccc2n1.O=C(O)c1ccc2ccccc2n1.O=C(O)c1ccc2ccccc2n1.O=C(O)c1ccc2ccccc2n1.[Mo].
What is the InChIKey of molybdenum;tetrakis(quinoline-2-carboxylic acid)?
The InChIKey is FYNSPHJWZWXUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H7NO2.Mo/c4*12-10(13)9-6-5-7-3-1-2-4-8(7)11-9;/h4*1-6H,(H,12,13);.
What are the key properties of molybdenum;tetrakis(quinoline-2-carboxylic acid)?
molybdenum;tetrakis(quinoline-2-carboxylic acid) has a molecular weight of 788.62 g/mol, XLogP of 7.73, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;tetrakis(quinoline-2-carboxylic acid) is sourced from PubChem (CID 172636275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).