zinc bis(2-(3-phenylprop-2-enoyl)quinolin-8-olate)

C36H24N2O4Zn — CID 67043114

IUPACzinc bis(2-(3-phenylprop-2-enoyl)quinolin-8-olate)
SMILESO=C(C=Cc1ccccc1)c1ccc2cccc([O-])c2n1.O=C(C=Cc1ccccc1)c1ccc2cccc([O-])c2n1.[Zn+2]
InChIInChI=1S/2C18H13NO2.Zn/c2*20-16(12-9-13-5-2-1-3-6-13)15-11-10-14-7-4-8-17(21)18(14)19-15;/h2*1-12,21H;/q;;+2/p-2
InChIKeyVBZDEWSLQQFFJL-UHFFFAOYSA-L
MW613.99 g/mol
LogP6.41
Rot. Bonds6

About zinc bis(2-(3-phenylprop-2-enoyl)quinolin-8-olate)

zinc bis(2-(3-phenylprop-2-enoyl)quinolin-8-olate) (PubChem CID 67043114) has the molecular formula C36H24N2O4Zn and a molecular weight of 613.99 g/mol. Its IUPAC name is zinc bis(2-(3-phenylprop-2-enoyl)quinolin-8-olate).

Molecular Properties

Compound Namezinc bis(2-(3-phenylprop-2-enoyl)quinolin-8-olate)
PubChem CID67043114
Molecular FormulaC36H24N2O4Zn
Molecular Weight613.99 g/mol
Exact Mass612.10
IUPAC Namezinc bis(2-(3-phenylprop-2-enoyl)quinolin-8-olate)
SMILESO=C(C=Cc1ccccc1)c1ccc2cccc([O-])c2n1.O=C(C=Cc1ccccc1)c1ccc2cccc([O-])c2n1.[Zn+2]
InChIInChI=1S/2C18H13NO2.Zn/c2*20-16(12-9-13-5-2-1-3-6-13)15-11-10-14-7-4-8-17(21)18(14)19-15;/h2*1-12,21H;/q;;+2/p-2
InChIKeyVBZDEWSLQQFFJL-UHFFFAOYSA-L
XLogP6.41
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.99
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-phenyl-1-quinolin-2-ylprop-2-en-1-one
CID 23656826
calcium bis(2-carboxyquinolin-8-olate)
CID 68819194
copper bis(2-carboxyquinolin-8-olate)
CID 54720975
bis(2-carboxyquinolin-8-olate);europium(2+)
CID 87928997
1,3-diphenylprop-2-en-1-one;naphthalene-1-carbaldehyde
CID 175310199
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 5356382
3-phenyl-1-quinoxalin-2-ylprop-2-en-1-one
CID 72520418
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
8-(3-phenylprop-2-enoyl)chromen-2-one
CID 171390709
3-phenyl-1-quinazolin-2-ylprop-2-en-1-one
CID 174920996

Frequently Asked Questions

What is the IUPAC name of zinc bis(2-(3-phenylprop-2-enoyl)quinolin-8-olate)?
The IUPAC name of zinc bis(2-(3-phenylprop-2-enoyl)quinolin-8-olate) (CID 67043114) is zinc bis(2-(3-phenylprop-2-enoyl)quinolin-8-olate).
What is the SMILES notation for zinc bis(2-(3-phenylprop-2-enoyl)quinolin-8-olate)?
The canonical SMILES for zinc bis(2-(3-phenylprop-2-enoyl)quinolin-8-olate) is O=C(C=Cc1ccccc1)c1ccc2cccc([O-])c2n1.O=C(C=Cc1ccccc1)c1ccc2cccc([O-])c2n1.[Zn+2].
What is the InChIKey of zinc bis(2-(3-phenylprop-2-enoyl)quinolin-8-olate)?
The InChIKey is VBZDEWSLQQFFJL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H13NO2.Zn/c2*20-16(12-9-13-5-2-1-3-6-13)15-11-10-14-7-4-8-17(21)18(14)19-15;/h2*1-12,21H;/q;;+2/p-2.
What are the key properties of zinc bis(2-(3-phenylprop-2-enoyl)quinolin-8-olate)?
zinc bis(2-(3-phenylprop-2-enoyl)quinolin-8-olate) has a molecular weight of 613.99 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2-(3-phenylprop-2-enoyl)quinolin-8-olate) is sourced from PubChem (CID 67043114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).