strontium bis(2-phenylquinoline-4-carboxylate)

C32H20N2O4Sr — CID 76959708

IUPACstrontium bis(2-phenylquinoline-4-carboxylate)
SMILESO=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.[Sr+2]
InChIInChI=1S/2C16H11NO2.Sr/c2*18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;/h2*1-10H,(H,18,19);/q;;+2/p-2
InChIKeyMMLPHAZOEWREPK-UHFFFAOYSA-L
MW584.14 g/mol
LogP4.15
Rot. Bonds4

About strontium bis(2-phenylquinoline-4-carboxylate)

strontium bis(2-phenylquinoline-4-carboxylate) (PubChem CID 76959708) has the molecular formula C32H20N2O4Sr and a molecular weight of 584.14 g/mol. Its IUPAC name is strontium bis(2-phenylquinoline-4-carboxylate).

Molecular Properties

Compound Namestrontium bis(2-phenylquinoline-4-carboxylate)
PubChem CID76959708
Molecular FormulaC32H20N2O4Sr
Molecular Weight584.14 g/mol
Exact Mass584.05
IUPAC Namestrontium bis(2-phenylquinoline-4-carboxylate)
SMILESO=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.[Sr+2]
InChIInChI=1S/2C16H11NO2.Sr/c2*18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;/h2*1-10H,(H,18,19);/q;;+2/p-2
InChIKeyMMLPHAZOEWREPK-UHFFFAOYSA-L
XLogP4.15
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.14
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of strontium bis(2-phenylquinoline-4-carboxylate)?
The IUPAC name of strontium bis(2-phenylquinoline-4-carboxylate) (CID 76959708) is strontium bis(2-phenylquinoline-4-carboxylate).
What is the SMILES notation for strontium bis(2-phenylquinoline-4-carboxylate)?
The canonical SMILES for strontium bis(2-phenylquinoline-4-carboxylate) is O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.O=C([O-])c1cc(-c2ccccc2)nc2ccccc12.[Sr+2].
What is the InChIKey of strontium bis(2-phenylquinoline-4-carboxylate)?
The InChIKey is MMLPHAZOEWREPK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H11NO2.Sr/c2*18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;/h2*1-10H,(H,18,19);/q;;+2/p-2.
What are the key properties of strontium bis(2-phenylquinoline-4-carboxylate)?
strontium bis(2-phenylquinoline-4-carboxylate) has a molecular weight of 584.14 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for strontium bis(2-phenylquinoline-4-carboxylate) is sourced from PubChem (CID 76959708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).