[2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium-4-yl]-trimethylsilane

C31H36NOSi+ — CID 164807728

IUPAC[2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium-4-yl]-trimethylsilane
SMILESCc1cc2c(oc3ccccc32)c(-c2cc([Si](C)(C)C)c3cc(CC(C)C)ccc3[n+]2C)c1C
InChIInChI=1S/C31H36NOSi/c1-19(2)15-22-13-14-26-25(17-22)29(34(6,7)8)18-27(32(26)5)30-21(4)20(3)16-24-23-11-9-10-12-28(23)33-31(24)30/h9-14,16-19H,15H2,1-8H3/q+1
InChIKeyMHYHIXNZMCUMTG-UHFFFAOYSA-N
MW466.72 g/mol
LogP7.59
Rot. Bonds4

About [2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium-4-yl]-trimethylsilane

[2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium-4-yl]-trimethylsilane (PubChem CID 164807728) has the molecular formula C31H36NOSi+ and a molecular weight of 466.72 g/mol. Its IUPAC name is [2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium-4-yl]-trimethylsilane
PubChem CID164807728
Molecular FormulaC31H36NOSi+
Molecular Weight466.72 g/mol
Exact Mass466.26
IUPAC Name[2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium-4-yl]-trimethylsilane
SMILESCc1cc2c(oc3ccccc32)c(-c2cc([Si](C)(C)C)c3cc(CC(C)C)ccc3[n+]2C)c1C
InChIInChI=1S/C31H36NOSi/c1-19(2)15-22-13-14-26-25(17-22)29(34(6,7)8)18-27(32(26)5)30-21(4)20(3)16-24-23-11-9-10-12-28(23)33-31(24)30/h9-14,16-19H,15H2,1-8H3/q+1
InChIKeyMHYHIXNZMCUMTG-UHFFFAOYSA-N
XLogP7.59
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.72
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium-4-yl]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-propan-2-ylquinolin-1-ium-4-yl]-trimethylsilane
CID 164808000
[2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane
CID 164807753
[1,6-dimethyl-2-(2-methyldibenzofuran-3-yl)quinolin-1-ium-4-yl]-trimethylsilane;[1,6-dimethyl-2-(3-methyldibenzofuran-2-yl)quinolin-1-ium-4-yl]-trimethylsilane;[1,6-dimethyl-2-(2,6,7-trimethyl-[1]benzofuro[2,3-b]pyridin-8-yl)quinolin-1-ium-4-yl]-trimethylsilane
CID 163587086
9-[2-(2,3-dimethyldibenzofuran-4-yl)-1,6-dimethylquinolin-1-ium-4-yl]carbazole
CID 171458896
[1,7-dimethyl-2-[3-methyl-2-(trideuteriomethyl)dibenzofuran-4-yl]quinolin-1-ium-6-yl]-trimethylsilane
CID 163479043
[2-(7-isocyano-2,3-dimethyldibenzofuran-4-yl)-1-methyl-4-(2-methylpropyl)quinolin-1-ium-6-yl]-trimethylsilane
CID 164808010
1-methyl-2-(3-methyldibenzofuran-4-yl)-4-propan-2-ylquinolin-1-ium
CID 167358246
2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1,7-dimethyl-4-(2-methylpropyl)quinolin-1-ium
CID 163866810
2-(2-methylpropyl)dibenzofuran
CID 59877560
4-bromo-2-(2-methylpropyl)dibenzofuran
CID 166913108
2-(2,3-dimethyldibenzofuran-4-yl)-6-fluoro-1-methylquinolin-1-ium;4-(2,2-dimethylpropyl)-2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1,7-dimethylquinolin-1-ium;2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1,7-dimethyl-4-(2-methylpropyl)quinolin-1-ium;2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1,7-dimethyl-4-propan-2-ylquinolin-1-ium
CID 163866808
[7-tert-butyl-2-(7-isocyano-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane
CID 164807959

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium-4-yl]-trimethylsilane?
The IUPAC name of [2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium-4-yl]-trimethylsilane (CID 164807728) is [2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium-4-yl]-trimethylsilane.
What is the SMILES notation for [2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium-4-yl]-trimethylsilane?
The canonical SMILES for [2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium-4-yl]-trimethylsilane is Cc1cc2c(oc3ccccc32)c(-c2cc([Si](C)(C)C)c3cc(CC(C)C)ccc3[n+]2C)c1C.
What is the InChIKey of [2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium-4-yl]-trimethylsilane?
The InChIKey is MHYHIXNZMCUMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36NOSi/c1-19(2)15-22-13-14-26-25(17-22)29(34(6,7)8)18-27(32(26)5)30-21(4)20(3)16-24-23-11-9-10-12-28(23)33-31(24)30/h9-14,16-19H,15H2,1-8H3/q+1.
What are the key properties of [2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium-4-yl]-trimethylsilane?
[2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium-4-yl]-trimethylsilane has a molecular weight of 466.72 g/mol, XLogP of 7.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-(2-methylpropyl)quinolin-1-ium-4-yl]-trimethylsilane is sourced from PubChem (CID 164807728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).