oxovanadium;propan-2-ol;bis(quinolin-8-ol)

C21H22N2O4V — CID 140673145

IUPACoxovanadium;propan-2-ol;bis(quinolin-8-ol)
SMILESCC(C)O.O=[V].Oc1cccc2cccnc12.Oc1cccc2cccnc12
InChIInChI=1S/2C9H7NO.C3H8O.O.V/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-3(2)4;;/h2*1-6,11H;3-4H,1-2H3;;
InChIKeyXOFPDJZXONOTCV-UHFFFAOYSA-N
MW417.36 g/mol
LogP4.15
Rot. Bonds

About oxovanadium;propan-2-ol;bis(quinolin-8-ol)

oxovanadium;propan-2-ol;bis(quinolin-8-ol) (PubChem CID 140673145) has the molecular formula C21H22N2O4V and a molecular weight of 417.36 g/mol. Its IUPAC name is oxovanadium;propan-2-ol;bis(quinolin-8-ol).

Molecular Properties

Compound Nameoxovanadium;propan-2-ol;bis(quinolin-8-ol)
PubChem CID140673145
Molecular FormulaC21H22N2O4V
Molecular Weight417.36 g/mol
Exact Mass417.10
IUPAC Nameoxovanadium;propan-2-ol;bis(quinolin-8-ol)
SMILESCC(C)O.O=[V].Oc1cccc2cccnc12.Oc1cccc2cccnc12
InChIInChI=1S/2C9H7NO.C3H8O.O.V/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-3(2)4;;/h2*1-6,11H;3-4H,1-2H3;;
InChIKeyXOFPDJZXONOTCV-UHFFFAOYSA-N
XLogP4.15
TPSA103.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.36
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Oxine-copper
CID 3032555
Hydroxyquinoline sulfate
CID 517000
Tris-(8-hydroxyquinoline)aluminum
CID 16683111
Khinozol
CID 8639
Indium In-111 Oxyquinoline
CID 119117
Cunilate
CID 56840841
5-[(8-Hydroxyquinolin-5-yl)methyl]quinolin-8-ol
CID 761547
Tris(8-hydroxyquinolinato)gallium
CID 9806063
Indium oxine
CID 3034762
5-((1,2,3,4-Tetrahydroisoquinolin-2-yl)methyl)quinolin-8-ol
CID 2398303
GNF-Pf-3485
CID 2904976
1-(3-Carbazol-9-yl-2-hydroxy-propyl)-8-hydroxy-quinolinium
CID 2904977

Frequently Asked Questions

What is the IUPAC name of oxovanadium;propan-2-ol;bis(quinolin-8-ol)?
The IUPAC name of oxovanadium;propan-2-ol;bis(quinolin-8-ol) (CID 140673145) is oxovanadium;propan-2-ol;bis(quinolin-8-ol).
What is the SMILES notation for oxovanadium;propan-2-ol;bis(quinolin-8-ol)?
The canonical SMILES for oxovanadium;propan-2-ol;bis(quinolin-8-ol) is CC(C)O.O=[V].Oc1cccc2cccnc12.Oc1cccc2cccnc12.
What is the InChIKey of oxovanadium;propan-2-ol;bis(quinolin-8-ol)?
The InChIKey is XOFPDJZXONOTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7NO.C3H8O.O.V/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;1-3(2)4;;/h2*1-6,11H;3-4H,1-2H3;;.
What are the key properties of oxovanadium;propan-2-ol;bis(quinolin-8-ol)?
oxovanadium;propan-2-ol;bis(quinolin-8-ol) has a molecular weight of 417.36 g/mol, XLogP of 4.15, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxovanadium;propan-2-ol;bis(quinolin-8-ol) is sourced from PubChem (CID 140673145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).