7-(trifluoromethyl)-N-[1-(2-trimethylsilylethoxymethyl)indol-6-yl]quinolin-2-amine

C24H26F3N3OSi — CID 155742443

IUPAC7-(trifluoromethyl)-N-[1-(2-trimethylsilylethoxymethyl)indol-6-yl]quinolin-2-amine
SMILESC[Si](C)(C)CCOCn1ccc2ccc(Nc3ccc4ccc(C(F)(F)F)cc4n3)cc21
InChIInChI=1S/C24H26F3N3OSi/c1-32(2,3)13-12-31-16-30-11-10-18-5-8-20(15-22(18)30)28-23-9-6-17-4-7-19(24(25,26)27)14-21(17)29-23/h4-11,14-15H,12-13,16H2,1-3H3,(H,28,29)
InChIKeyMGDXWQCSJVDDOL-UHFFFAOYSA-N
MW457.57 g/mol
LogP7.26
Rot. Bonds7

About 7-(trifluoromethyl)-N-[1-(2-trimethylsilylethoxymethyl)indol-6-yl]quinolin-2-amine

7-(trifluoromethyl)-N-[1-(2-trimethylsilylethoxymethyl)indol-6-yl]quinolin-2-amine (PubChem CID 155742443) has the molecular formula C24H26F3N3OSi and a molecular weight of 457.57 g/mol. Its IUPAC name is 7-(trifluoromethyl)-N-[1-(2-trimethylsilylethoxymethyl)indol-6-yl]quinolin-2-amine.

Molecular Properties

Compound Name7-(trifluoromethyl)-N-[1-(2-trimethylsilylethoxymethyl)indol-6-yl]quinolin-2-amine
PubChem CID155742443
Molecular FormulaC24H26F3N3OSi
Molecular Weight457.57 g/mol
Exact Mass457.18
IUPAC Name7-(trifluoromethyl)-N-[1-(2-trimethylsilylethoxymethyl)indol-6-yl]quinolin-2-amine
SMILESC[Si](C)(C)CCOCn1ccc2ccc(Nc3ccc4ccc(C(F)(F)F)cc4n3)cc21
InChIInChI=1S/C24H26F3N3OSi/c1-32(2,3)13-12-31-16-30-11-10-18-5-8-20(15-22(18)30)28-23-9-6-17-4-7-19(24(25,26)27)14-21(17)29-23/h4-11,14-15H,12-13,16H2,1-3H3,(H,28,29)
InChIKeyMGDXWQCSJVDDOL-UHFFFAOYSA-N
XLogP7.26
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 57.26
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-N-[1-(2-trimethylsilylethoxymethyl)indol-6-yl]quinolin-2-amine?
The IUPAC name of 7-(trifluoromethyl)-N-[1-(2-trimethylsilylethoxymethyl)indol-6-yl]quinolin-2-amine (CID 155742443) is 7-(trifluoromethyl)-N-[1-(2-trimethylsilylethoxymethyl)indol-6-yl]quinolin-2-amine.
What is the SMILES notation for 7-(trifluoromethyl)-N-[1-(2-trimethylsilylethoxymethyl)indol-6-yl]quinolin-2-amine?
The canonical SMILES for 7-(trifluoromethyl)-N-[1-(2-trimethylsilylethoxymethyl)indol-6-yl]quinolin-2-amine is C[Si](C)(C)CCOCn1ccc2ccc(Nc3ccc4ccc(C(F)(F)F)cc4n3)cc21.
What is the InChIKey of 7-(trifluoromethyl)-N-[1-(2-trimethylsilylethoxymethyl)indol-6-yl]quinolin-2-amine?
The InChIKey is MGDXWQCSJVDDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3OSi/c1-32(2,3)13-12-31-16-30-11-10-18-5-8-20(15-22(18)30)28-23-9-6-17-4-7-19(24(25,26)27)14-21(17)29-23/h4-11,14-15H,12-13,16H2,1-3H3,(H,28,29).
What are the key properties of 7-(trifluoromethyl)-N-[1-(2-trimethylsilylethoxymethyl)indol-6-yl]quinolin-2-amine?
7-(trifluoromethyl)-N-[1-(2-trimethylsilylethoxymethyl)indol-6-yl]quinolin-2-amine has a molecular weight of 457.57 g/mol, XLogP of 7.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-N-[1-(2-trimethylsilylethoxymethyl)indol-6-yl]quinolin-2-amine is sourced from PubChem (CID 155742443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).