bis(benzo[h]quinoline-2-carboxylic acid);palladium

C28H18N2O4Pd — CID 162370884

IUPACbis(benzo[h]quinoline-2-carboxylic acid);palladium
SMILESO=C(O)c1ccc2ccc3ccccc3c2n1.O=C(O)c1ccc2ccc3ccccc3c2n1.[Pd]
InChIInChI=1S/2C14H9NO2.Pd/c2*16-14(17)12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)15-12;/h2*1-8H,(H,16,17);
InChIKeySVZJROMWRDYCRN-UHFFFAOYSA-N
MW552.88 g/mol
LogP6.17
Rot. Bonds2

About bis(benzo[h]quinoline-2-carboxylic acid);palladium

bis(benzo[h]quinoline-2-carboxylic acid);palladium (PubChem CID 162370884) has the molecular formula C28H18N2O4Pd and a molecular weight of 552.88 g/mol. Its IUPAC name is bis(benzo[h]quinoline-2-carboxylic acid);palladium.

Molecular Properties

Compound Namebis(benzo[h]quinoline-2-carboxylic acid);palladium
PubChem CID162370884
Molecular FormulaC28H18N2O4Pd
Molecular Weight552.88 g/mol
Exact Mass552.03
IUPAC Namebis(benzo[h]quinoline-2-carboxylic acid);palladium
SMILESO=C(O)c1ccc2ccc3ccccc3c2n1.O=C(O)c1ccc2ccc3ccccc3c2n1.[Pd]
InChIInChI=1S/2C14H9NO2.Pd/c2*16-14(17)12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)15-12;/h2*1-8H,(H,16,17);
InChIKeySVZJROMWRDYCRN-UHFFFAOYSA-N
XLogP6.17
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.88
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(benzo[h]quinoline-2-carboxylic acid);palladium?
The IUPAC name of bis(benzo[h]quinoline-2-carboxylic acid);palladium (CID 162370884) is bis(benzo[h]quinoline-2-carboxylic acid);palladium.
What is the SMILES notation for bis(benzo[h]quinoline-2-carboxylic acid);palladium?
The canonical SMILES for bis(benzo[h]quinoline-2-carboxylic acid);palladium is O=C(O)c1ccc2ccc3ccccc3c2n1.O=C(O)c1ccc2ccc3ccccc3c2n1.[Pd].
What is the InChIKey of bis(benzo[h]quinoline-2-carboxylic acid);palladium?
The InChIKey is SVZJROMWRDYCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H9NO2.Pd/c2*16-14(17)12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)15-12;/h2*1-8H,(H,16,17);.
What are the key properties of bis(benzo[h]quinoline-2-carboxylic acid);palladium?
bis(benzo[h]quinoline-2-carboxylic acid);palladium has a molecular weight of 552.88 g/mol, XLogP of 6.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzo[h]quinoline-2-carboxylic acid);palladium is sourced from PubChem (CID 162370884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).