bis(3-methylbenzo[f]quinolin-5-ol);zinc

C28H22N2O2Zn — CID 59863810

IUPACbis(3-methylbenzo[f]quinolin-5-ol);zinc
SMILESCc1ccc2c(n1)c(O)cc1ccccc12.Cc1ccc2c(n1)c(O)cc1ccccc12.[Zn]
InChIInChI=1S/2C14H11NO.Zn/c2*1-9-6-7-12-11-5-3-2-4-10(11)8-13(16)14(12)15-9;/h2*2-8,16H,1H3;
InChIKeySSQATWWZXINXMM-UHFFFAOYSA-N
MW483.89 g/mol
LogP6.80
Rot. Bonds

About bis(3-methylbenzo[f]quinolin-5-ol);zinc

bis(3-methylbenzo[f]quinolin-5-ol);zinc (PubChem CID 59863810) has the molecular formula C28H22N2O2Zn and a molecular weight of 483.89 g/mol. Its IUPAC name is bis(3-methylbenzo[f]quinolin-5-ol);zinc.

Molecular Properties

Compound Namebis(3-methylbenzo[f]quinolin-5-ol);zinc
PubChem CID59863810
Molecular FormulaC28H22N2O2Zn
Molecular Weight483.89 g/mol
Exact Mass482.10
IUPAC Namebis(3-methylbenzo[f]quinolin-5-ol);zinc
SMILESCc1ccc2c(n1)c(O)cc1ccccc12.Cc1ccc2c(n1)c(O)cc1ccccc12.[Zn]
InChIInChI=1S/2C14H11NO.Zn/c2*1-9-6-7-12-11-5-3-2-4-10(11)8-13(16)14(12)15-9;/h2*2-8,16H,1H3;
InChIKeySSQATWWZXINXMM-UHFFFAOYSA-N
XLogP6.80
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.89
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

3-(2,3-dihydro-1H-benzo[f]cyclopenta[c]quinolin-4-yl)phenol
CID 1235256
2-Methyl-4-[methyl-(9-methylcarbazol-3-yl)amino]quinolin-8-ol
CID 149479733
5-[[(8-Hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol
CID 25268547
12-Phenylbenzo[b]acridin-9-ol;hydrochloride
CID 137641590
12-Phenylbenzo[b]acridin-4-ol;hydrochloride
CID 137652975
5-[(7-Methylindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145967324
5-[(2-Methylindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145976281
5-[(2,3-Dimethylindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145977840
2-(1-hydroxy-3-methyl-9H-carbazol-2-yl)-3-methyl-9H-carbazol-1-ol
CID 6712793
2,2'-(Ethane-1,2-diyl)di(quinolin-8-ol)
CID 15456008
Quinolinium,6-methyl-, iodide
CID 135534457
5-[(2-Ethylindol-1-yl)methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 145972778

Frequently Asked Questions

What is the IUPAC name of bis(3-methylbenzo[f]quinolin-5-ol);zinc?
The IUPAC name of bis(3-methylbenzo[f]quinolin-5-ol);zinc (CID 59863810) is bis(3-methylbenzo[f]quinolin-5-ol);zinc.
What is the SMILES notation for bis(3-methylbenzo[f]quinolin-5-ol);zinc?
The canonical SMILES for bis(3-methylbenzo[f]quinolin-5-ol);zinc is Cc1ccc2c(n1)c(O)cc1ccccc12.Cc1ccc2c(n1)c(O)cc1ccccc12.[Zn].
What is the InChIKey of bis(3-methylbenzo[f]quinolin-5-ol);zinc?
The InChIKey is SSQATWWZXINXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H11NO.Zn/c2*1-9-6-7-12-11-5-3-2-4-10(11)8-13(16)14(12)15-9;/h2*2-8,16H,1H3;.
What are the key properties of bis(3-methylbenzo[f]quinolin-5-ol);zinc?
bis(3-methylbenzo[f]quinolin-5-ol);zinc has a molecular weight of 483.89 g/mol, XLogP of 6.80, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylbenzo[f]quinolin-5-ol);zinc is sourced from PubChem (CID 59863810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).