tetrakis(benzene-1,4-diol);quinoline

C33H31NO8 — CID 174523855

IUPACtetrakis(benzene-1,4-diol);quinoline
SMILESOc1ccc(O)cc1.Oc1ccc(O)cc1.Oc1ccc(O)cc1.Oc1ccc(O)cc1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.4C6H6O2/c1-2-6-9-8(4-1)5-3-7-10-9;4*7-5-1-2-6(8)4-3-5/h1-7H;4*1-4,7-8H
InChIKeyMAAIJLWHNPAYFH-UHFFFAOYSA-N
MW569.61 g/mol
LogP6.63
Rot. Bonds

About tetrakis(benzene-1,4-diol);quinoline

tetrakis(benzene-1,4-diol);quinoline (PubChem CID 174523855) has the molecular formula C33H31NO8 and a molecular weight of 569.61 g/mol. Its IUPAC name is tetrakis(benzene-1,4-diol);quinoline.

Molecular Properties

Compound Nametetrakis(benzene-1,4-diol);quinoline
PubChem CID174523855
Molecular FormulaC33H31NO8
Molecular Weight569.61 g/mol
Exact Mass569.20
IUPAC Nametetrakis(benzene-1,4-diol);quinoline
SMILESOc1ccc(O)cc1.Oc1ccc(O)cc1.Oc1ccc(O)cc1.Oc1ccc(O)cc1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.4C6H6O2/c1-2-6-9-8(4-1)5-3-7-10-9;4*7-5-1-2-6(8)4-3-5/h1-7H;4*1-4,7-8H
InChIKeyMAAIJLWHNPAYFH-UHFFFAOYSA-N
XLogP6.63
TPSA174.73 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500569.61
LogP ≤ 56.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

quinoline
CID 76974643
quinoline;silver
CID 88761492
osmium(2+);quinoline
CID 158407120
CID 175273158
CID 175273158
hydron;quinoline
CID 131854096
platinum(2+);quinoline
CID 50910245
CID 159709187
CID 159709187
ethane;methanol;quinoline
CID 90686502
quinoline;titanium;hydrate
CID 174714429
quinoline;quinoxaline
CID 66672759
quinoline;hydrochloride;hydroiodide
CID 161378453
CID 174859636
CID 174859636

Frequently Asked Questions

What is the IUPAC name of tetrakis(benzene-1,4-diol);quinoline?
The IUPAC name of tetrakis(benzene-1,4-diol);quinoline (CID 174523855) is tetrakis(benzene-1,4-diol);quinoline.
What is the SMILES notation for tetrakis(benzene-1,4-diol);quinoline?
The canonical SMILES for tetrakis(benzene-1,4-diol);quinoline is Oc1ccc(O)cc1.Oc1ccc(O)cc1.Oc1ccc(O)cc1.Oc1ccc(O)cc1.c1ccc2ncccc2c1.
What is the InChIKey of tetrakis(benzene-1,4-diol);quinoline?
The InChIKey is MAAIJLWHNPAYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.4C6H6O2/c1-2-6-9-8(4-1)5-3-7-10-9;4*7-5-1-2-6(8)4-3-5/h1-7H;4*1-4,7-8H.
What are the key properties of tetrakis(benzene-1,4-diol);quinoline?
tetrakis(benzene-1,4-diol);quinoline has a molecular weight of 569.61 g/mol, XLogP of 6.63, 0 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(benzene-1,4-diol);quinoline is sourced from PubChem (CID 174523855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).