bis(9-methylbenzo[h]quinolin-10-ol);zinc

C28H22N2O2Zn — CID 140607569

IUPACbis(9-methylbenzo[h]quinolin-10-ol);zinc
SMILESCc1ccc2ccc3cccnc3c2c1O.Cc1ccc2ccc3cccnc3c2c1O.[Zn]
InChIInChI=1S/2C14H11NO.Zn/c2*1-9-4-5-10-6-7-11-3-2-8-15-13(11)12(10)14(9)16;/h2*2-8,16H,1H3;
InChIKeyLUIAGTRBTKHCQN-UHFFFAOYSA-N
MW483.89 g/mol
LogP6.80
Rot. Bonds

About bis(9-methylbenzo[h]quinolin-10-ol);zinc

bis(9-methylbenzo[h]quinolin-10-ol);zinc (PubChem CID 140607569) has the molecular formula C28H22N2O2Zn and a molecular weight of 483.89 g/mol. Its IUPAC name is bis(9-methylbenzo[h]quinolin-10-ol);zinc.

Molecular Properties

Compound Namebis(9-methylbenzo[h]quinolin-10-ol);zinc
PubChem CID140607569
Molecular FormulaC28H22N2O2Zn
Molecular Weight483.89 g/mol
Exact Mass482.10
IUPAC Namebis(9-methylbenzo[h]quinolin-10-ol);zinc
SMILESCc1ccc2ccc3cccnc3c2c1O.Cc1ccc2ccc3cccnc3c2c1O.[Zn]
InChIInChI=1S/2C14H11NO.Zn/c2*1-9-4-5-10-6-7-11-3-2-8-15-13(11)12(10)14(9)16;/h2*2-8,16H,1H3;
InChIKeyLUIAGTRBTKHCQN-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

9-(4-Hydroxyphenyl)-2,7-Phenanthroline
CID 447874
7-[Piperidin-1-yl(pyridin-4-yl)methyl]quinolin-8-ol
CID 3861919
Dibenzo[f,h]quinolin-7-ol
CID 219962
7-[[4-[(8-Hydroxyquinolin-7-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol
CID 1351544
16,16-Diphenyl-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9(14),10,12-hexaen-10-ol chloride
CID 15281331
3-[(7R,8R,9aR)-7,8-dimethyl-2-(quinolin-4-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
CID 16094382
5-[[(8-Hydroxyquinolin-5-yl)methyl-[(4-methylphenyl)methyl]amino]methyl]quinolin-8-ol
CID 25268549
(6R)-6,9-dimethyl-3-(4-methylpent-3-enyl)-5,6-dihydro-4H-benzo[de]quinolin-7-ol
CID 145980520
5-(8-Hydroxy-7-piperidin-1-ylmethyl-isoquinolin-5-ylmethyl)-7-piperidin-1-ylmethyl-quinolin-8-ol
CID 136180343
17,24-Diaza-1,9-diazoniaheptacyclo[23.6.2.29,16.219,22.13,7.010,15.026,31]octatriaconta-1(32),3(38),4,6,9(37),10,12,14,16(36),19,21,25(33),26,28,30,34-hexadecaen-38-ol
CID 10818198
5-[[(8-Hydroxyquinolin-5-yl)methyl-(naphthalen-1-ylmethyl)amino]methyl]quinolin-8-ol
CID 25268547
5-[[(8-hydroxyquinolin-5-yl)methyl-[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]quinolin-8-ol
CID 25268908

Frequently Asked Questions

What is the IUPAC name of bis(9-methylbenzo[h]quinolin-10-ol);zinc?
The IUPAC name of bis(9-methylbenzo[h]quinolin-10-ol);zinc (CID 140607569) is bis(9-methylbenzo[h]quinolin-10-ol);zinc.
What is the SMILES notation for bis(9-methylbenzo[h]quinolin-10-ol);zinc?
The canonical SMILES for bis(9-methylbenzo[h]quinolin-10-ol);zinc is Cc1ccc2ccc3cccnc3c2c1O.Cc1ccc2ccc3cccnc3c2c1O.[Zn].
What is the InChIKey of bis(9-methylbenzo[h]quinolin-10-ol);zinc?
The InChIKey is LUIAGTRBTKHCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H11NO.Zn/c2*1-9-4-5-10-6-7-11-3-2-8-15-13(11)12(10)14(9)16;/h2*2-8,16H,1H3;.
What are the key properties of bis(9-methylbenzo[h]quinolin-10-ol);zinc?
bis(9-methylbenzo[h]quinolin-10-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(9-methylbenzo[h]quinolin-10-ol);zinc is sourced from PubChem (CID 140607569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).