2-[[6-bromo-2-(8-chloroquinolin-2-yl)-5-(trifluoromethoxy)indol-1-yl]methoxy]ethyl-trimethylsilane

C24H23BrClF3N2O2Si — CID 177312772

IUPAC2-[[6-bromo-2-(8-chloroquinolin-2-yl)-5-(trifluoromethoxy)indol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2ccc3cccc(Cl)c3n2)cc2cc(OC(F)(F)F)c(Br)cc21
InChIInChI=1S/C24H23BrClF3N2O2Si/c1-34(2,3)10-9-32-14-31-20-13-17(25)22(33-24(27,28)29)12-16(20)11-21(31)19-8-7-15-5-4-6-18(26)23(15)30-19/h4-8,11-13H,9-10,14H2,1-3H3
InChIKeyVVJUYZPDGPHFSJ-UHFFFAOYSA-N
MW571.90 g/mol
LogP8.48
Rot. Bonds7

About 2-[[6-bromo-2-(8-chloroquinolin-2-yl)-5-(trifluoromethoxy)indol-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-bromo-2-(8-chloroquinolin-2-yl)-5-(trifluoromethoxy)indol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 177312772) has the molecular formula C24H23BrClF3N2O2Si and a molecular weight of 571.90 g/mol. Its IUPAC name is 2-[[6-bromo-2-(8-chloroquinolin-2-yl)-5-(trifluoromethoxy)indol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-bromo-2-(8-chloroquinolin-2-yl)-5-(trifluoromethoxy)indol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID177312772
Molecular FormulaC24H23BrClF3N2O2Si
Molecular Weight571.90 g/mol
Exact Mass570.04
IUPAC Name2-[[6-bromo-2-(8-chloroquinolin-2-yl)-5-(trifluoromethoxy)indol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1c(-c2ccc3cccc(Cl)c3n2)cc2cc(OC(F)(F)F)c(Br)cc21
InChIInChI=1S/C24H23BrClF3N2O2Si/c1-34(2,3)10-9-32-14-31-20-13-17(25)22(33-24(27,28)29)12-16(20)11-21(31)19-8-7-15-5-4-6-18(26)23(15)30-19/h4-8,11-13H,9-10,14H2,1-3H3
InChIKeyVVJUYZPDGPHFSJ-UHFFFAOYSA-N
XLogP8.48
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.90
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-chloro-6-(trifluoromethoxy)phenyl]methoxy]ethyl-trimethylsilane
CID 175454358
3-bromo-4-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]pyrrole-2,5-dione
CID 10764648
2-[[6-chloro-2-(2-methylphenyl)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 157374933
1,5-dibromo-2-chloro-4-(trifluoromethoxy)benzene
CID 171006157
8-chloro-2-[5-(difluoromethoxy)-1-(2-piperazin-1-ylethyl)indol-2-yl]quinoline
CID 177342509
3-[5-[3-(trifluoromethoxy)phenyl]-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]aniline
CID 68631092
2-[[7-bromo-5-chloro-6-(trifluoromethyl)indazol-2-yl]methoxy]ethyl-trimethylsilane
CID 171770081
2-[(2-chloro-6-methylpyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane
CID 164881290
8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine
CID 177312689
2-[[2,5-dibromo-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 123200798
8-chloro-2-[chloro-[4-(trifluoromethoxy)phenyl]methyl]quinoline
CID 177312715
2-[[4,5-dibromo-2-[3-(1,1-difluoropropyl)phenyl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 142022669

Frequently Asked Questions

What is the IUPAC name of 2-[[6-bromo-2-(8-chloroquinolin-2-yl)-5-(trifluoromethoxy)indol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-bromo-2-(8-chloroquinolin-2-yl)-5-(trifluoromethoxy)indol-1-yl]methoxy]ethyl-trimethylsilane (CID 177312772) is 2-[[6-bromo-2-(8-chloroquinolin-2-yl)-5-(trifluoromethoxy)indol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-bromo-2-(8-chloroquinolin-2-yl)-5-(trifluoromethoxy)indol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-bromo-2-(8-chloroquinolin-2-yl)-5-(trifluoromethoxy)indol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1c(-c2ccc3cccc(Cl)c3n2)cc2cc(OC(F)(F)F)c(Br)cc21.
What is the InChIKey of 2-[[6-bromo-2-(8-chloroquinolin-2-yl)-5-(trifluoromethoxy)indol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is VVJUYZPDGPHFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrClF3N2O2Si/c1-34(2,3)10-9-32-14-31-20-13-17(25)22(33-24(27,28)29)12-16(20)11-21(31)19-8-7-15-5-4-6-18(26)23(15)30-19/h4-8,11-13H,9-10,14H2,1-3H3.
What are the key properties of 2-[[6-bromo-2-(8-chloroquinolin-2-yl)-5-(trifluoromethoxy)indol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-bromo-2-(8-chloroquinolin-2-yl)-5-(trifluoromethoxy)indol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 571.90 g/mol, XLogP of 8.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-bromo-2-(8-chloroquinolin-2-yl)-5-(trifluoromethoxy)indol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 177312772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).