bis(1H-benzo[h]quinolin-10-one);zinc

C26H18N2O2Zn — CID 158704847

IUPACbis(1H-benzo[h]quinolin-10-one);zinc
SMILESO=c1cccc2ccc3ccc[nH]c3c12.O=c1cccc2ccc3ccc[nH]c3c12.[Zn]
InChIInChI=1S/2C13H9NO.Zn/c2*15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;/h2*1-8,14H;
InChIKeyMSNPTAHZULNQNE-UHFFFAOYSA-N
MW455.83 g/mol
LogP5.36
Rot. Bonds

About bis(1H-benzo[h]quinolin-10-one);zinc

bis(1H-benzo[h]quinolin-10-one);zinc (PubChem CID 158704847) has the molecular formula C26H18N2O2Zn and a molecular weight of 455.83 g/mol. Its IUPAC name is bis(1H-benzo[h]quinolin-10-one);zinc.

Molecular Properties

Compound Namebis(1H-benzo[h]quinolin-10-one);zinc
PubChem CID158704847
Molecular FormulaC26H18N2O2Zn
Molecular Weight455.83 g/mol
Exact Mass454.07
IUPAC Namebis(1H-benzo[h]quinolin-10-one);zinc
SMILESO=c1cccc2ccc3ccc[nH]c3c12.O=c1cccc2ccc3ccc[nH]c3c12.[Zn]
InChIInChI=1S/2C13H9NO.Zn/c2*15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;/h2*1-8,14H;
InChIKeyMSNPTAHZULNQNE-UHFFFAOYSA-N
XLogP5.36
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.83
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1H-benzo[h]quinolin-10-one);zinc?
The IUPAC name of bis(1H-benzo[h]quinolin-10-one);zinc (CID 158704847) is bis(1H-benzo[h]quinolin-10-one);zinc.
What is the SMILES notation for bis(1H-benzo[h]quinolin-10-one);zinc?
The canonical SMILES for bis(1H-benzo[h]quinolin-10-one);zinc is O=c1cccc2ccc3ccc[nH]c3c12.O=c1cccc2ccc3ccc[nH]c3c12.[Zn].
What is the InChIKey of bis(1H-benzo[h]quinolin-10-one);zinc?
The InChIKey is MSNPTAHZULNQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9NO.Zn/c2*15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;/h2*1-8,14H;.
What are the key properties of bis(1H-benzo[h]quinolin-10-one);zinc?
bis(1H-benzo[h]quinolin-10-one);zinc has a molecular weight of 455.83 g/mol, XLogP of 5.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1H-benzo[h]quinolin-10-one);zinc is sourced from PubChem (CID 158704847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).