3-[dimethyl(phenyl)silyl]oxy-2-quinolin-2-ylinden-1-one

C26H21NO2Si — CID 20702897

IUPAC3-[dimethyl(phenyl)silyl]oxy-2-quinolin-2-ylinden-1-one
SMILESC[Si](C)(OC1=C(c2ccc3ccccc3n2)C(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C26H21NO2Si/c1-30(2,19-11-4-3-5-12-19)29-26-21-14-8-7-13-20(21)25(28)24(26)23-17-16-18-10-6-9-15-22(18)27-23/h3-17H,1-2H3
InChIKeyIDVQELWAQAQVEN-UHFFFAOYSA-N
MW407.55 g/mol
LogP5.43
Rot. Bonds4

About 3-[dimethyl(phenyl)silyl]oxy-2-quinolin-2-ylinden-1-one

3-[dimethyl(phenyl)silyl]oxy-2-quinolin-2-ylinden-1-one (PubChem CID 20702897) has the molecular formula C26H21NO2Si and a molecular weight of 407.55 g/mol. Its IUPAC name is 3-[dimethyl(phenyl)silyl]oxy-2-quinolin-2-ylinden-1-one.

Molecular Properties

Compound Name3-[dimethyl(phenyl)silyl]oxy-2-quinolin-2-ylinden-1-one
PubChem CID20702897
Molecular FormulaC26H21NO2Si
Molecular Weight407.55 g/mol
Exact Mass407.13
IUPAC Name3-[dimethyl(phenyl)silyl]oxy-2-quinolin-2-ylinden-1-one
SMILESC[Si](C)(OC1=C(c2ccc3ccccc3n2)C(=O)c2ccccc21)c1ccccc1
InChIInChI=1S/C26H21NO2Si/c1-30(2,19-11-4-3-5-12-19)29-26-21-14-8-7-13-20(21)25(28)24(26)23-17-16-18-10-6-9-15-22(18)27-23/h3-17H,1-2H3
InChIKeyIDVQELWAQAQVEN-UHFFFAOYSA-N
XLogP5.43
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.55
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-6-quinolin-2-ylcyclopenta[c]pyridin-2-ium-5-one
CID 4621471
6,12-bis(triethylsilyloxy)tetracene-5,11-dione
CID 71424831
2-[2-(sulfinoamino)phenyl]quinoline
CID 22445092
iridium;tris(2-phenylquinoline)
CID 122129463
2-(2-fluorophenyl)quinoline
CID 11622684
2-methyl-3-quinolin-2-ylcyclopent-2-en-1-one
CID 142684141
2-methyl-5-quinolin-2-yl-1,2-oxazol-3-one
CID 10561201
2-[3-(2-phenylphenyl)phenyl]quinoline
CID 68954156
ethane;2-quinolin-2-ylindene-1,3-dione
CID 123277831
3-hydroxy-2-[6-(4-methylphenyl)quinolin-2-yl]inden-1-one
CID 2755366
2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline
CID 54524072
2-quinolin-2-ylquinoline-6-carboxylic acid
CID 177243847

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(phenyl)silyl]oxy-2-quinolin-2-ylinden-1-one?
The IUPAC name of 3-[dimethyl(phenyl)silyl]oxy-2-quinolin-2-ylinden-1-one (CID 20702897) is 3-[dimethyl(phenyl)silyl]oxy-2-quinolin-2-ylinden-1-one.
What is the SMILES notation for 3-[dimethyl(phenyl)silyl]oxy-2-quinolin-2-ylinden-1-one?
The canonical SMILES for 3-[dimethyl(phenyl)silyl]oxy-2-quinolin-2-ylinden-1-one is C[Si](C)(OC1=C(c2ccc3ccccc3n2)C(=O)c2ccccc21)c1ccccc1.
What is the InChIKey of 3-[dimethyl(phenyl)silyl]oxy-2-quinolin-2-ylinden-1-one?
The InChIKey is IDVQELWAQAQVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO2Si/c1-30(2,19-11-4-3-5-12-19)29-26-21-14-8-7-13-20(21)25(28)24(26)23-17-16-18-10-6-9-15-22(18)27-23/h3-17H,1-2H3.
What are the key properties of 3-[dimethyl(phenyl)silyl]oxy-2-quinolin-2-ylinden-1-one?
3-[dimethyl(phenyl)silyl]oxy-2-quinolin-2-ylinden-1-one has a molecular weight of 407.55 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(phenyl)silyl]oxy-2-quinolin-2-ylinden-1-one is sourced from PubChem (CID 20702897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).