trimethyl-[1-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinolin-1-ium-4-yl]silane

C22H24NSSi+ — CID 166054887

IUPACtrimethyl-[1-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinolin-1-ium-4-yl]silane
SMILESCc1c(-c2cc([Si](C)(C)C)c3ccccc3[n+]2C)sc2ccccc12
InChIInChI=1S/C22H24NSSi/c1-15-16-10-7-9-13-20(16)24-22(15)19-14-21(25(3,4)5)17-11-6-8-12-18(17)23(19)2/h6-14H,1-5H3/q+1
InChIKeySRMQKBRCXLYVBH-UHFFFAOYSA-N
MW362.59 g/mol
LogP5.40
Rot. Bonds2

About trimethyl-[1-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinolin-1-ium-4-yl]silane

trimethyl-[1-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinolin-1-ium-4-yl]silane (PubChem CID 166054887) has the molecular formula C22H24NSSi+ and a molecular weight of 362.59 g/mol. Its IUPAC name is trimethyl-[1-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinolin-1-ium-4-yl]silane.

Molecular Properties

Compound Nametrimethyl-[1-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinolin-1-ium-4-yl]silane
PubChem CID166054887
Molecular FormulaC22H24NSSi+
Molecular Weight362.59 g/mol
Exact Mass362.14
IUPAC Nametrimethyl-[1-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinolin-1-ium-4-yl]silane
SMILESCc1c(-c2cc([Si](C)(C)C)c3ccccc3[n+]2C)sc2ccccc12
InChIInChI=1S/C22H24NSSi/c1-15-16-10-7-9-13-20(16)24-22(15)19-14-21(25(3,4)5)17-11-6-8-12-18(17)23(19)2/h6-14H,1-5H3/q+1
InChIKeySRMQKBRCXLYVBH-UHFFFAOYSA-N
XLogP5.40
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.59
LogP ≤ 55.40
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'}

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Related Compounds

4-(2,2-dimethylpropyl)-1-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinolin-1-ium
CID 166054723
14-methyl-13-(3-methyl-1-benzothiophen-2-yl)-17-thia-14-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 140871224
1,4-dimethyl-2-(3-methyl-1-benzofuran-2-yl)quinolin-1-ium
CID 166054769
[2-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-1-methylquinolin-1-ium-4-yl]-trimethylsilane
CID 164807753
2-(3-methyl-1-benzothiophen-2-yl)pyridine
CID 58084654
5-(3-methyl-1-benzothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 16643878
2-(2,4-difluoro-6-methylphenyl)-1-methylpyridin-1-ium;methane;1-methyl-2-(3-methyl-1-benzothiophen-2-yl)pyridin-1-ium
CID 160773137
2-(3-methyl-1-benzothiophen-2-yl)quinoxaline
CID 14099248
azane;2-(2,4-difluoro-6-methylphenyl)-1-methylpyridin-1-ium;methane;1-methyl-2-(3-methyl-1-benzothiophen-2-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)quinolin-1-ium
CID 162231229
[2-(2,3-dimethyldibenzofuran-4-yl)-1-methyl-6-propan-2-ylquinolin-1-ium-4-yl]-trimethylsilane
CID 164808000
2-bromo-3-methyl-5-(3-methyl-1-benzothiophen-2-yl)-1-benzothiophene
CID 163803918
2,3,6-trimethyl-5-(3-methyl-1-benzothiophen-2-yl)-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium
CID 156629462

Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinolin-1-ium-4-yl]silane?
The IUPAC name of trimethyl-[1-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinolin-1-ium-4-yl]silane (CID 166054887) is trimethyl-[1-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinolin-1-ium-4-yl]silane.
What is the SMILES notation for trimethyl-[1-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinolin-1-ium-4-yl]silane?
The canonical SMILES for trimethyl-[1-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinolin-1-ium-4-yl]silane is Cc1c(-c2cc([Si](C)(C)C)c3ccccc3[n+]2C)sc2ccccc12.
What is the InChIKey of trimethyl-[1-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinolin-1-ium-4-yl]silane?
The InChIKey is SRMQKBRCXLYVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24NSSi/c1-15-16-10-7-9-13-20(16)24-22(15)19-14-21(25(3,4)5)17-11-6-8-12-18(17)23(19)2/h6-14H,1-5H3/q+1.
What are the key properties of trimethyl-[1-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinolin-1-ium-4-yl]silane?
trimethyl-[1-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinolin-1-ium-4-yl]silane has a molecular weight of 362.59 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-methyl-2-(3-methyl-1-benzothiophen-2-yl)quinolin-1-ium-4-yl]silane is sourced from PubChem (CID 166054887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).