4-[1-(1-methylindol-5-yl)ethenyl]-2-(trifluoromethyl)quinoline

C21H15F3N2 — CID 155522517

IUPAC4-[1-(1-methylindol-5-yl)ethenyl]-2-(trifluoromethyl)quinoline
SMILESC=C(c1ccc2c(ccn2C)c1)c1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C21H15F3N2/c1-13(14-7-8-19-15(11-14)9-10-26(19)2)17-12-20(21(22,23)24)25-18-6-4-3-5-16(17)18/h3-12H,1H2,2H3
InChIKeyQENTWNCTUKJALL-UHFFFAOYSA-N
MW352.36 g/mol
LogP5.81
Rot. Bonds2

About 4-[1-(1-methylindol-5-yl)ethenyl]-2-(trifluoromethyl)quinoline

4-[1-(1-methylindol-5-yl)ethenyl]-2-(trifluoromethyl)quinoline (PubChem CID 155522517) has the molecular formula C21H15F3N2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 4-[1-(1-methylindol-5-yl)ethenyl]-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-[1-(1-methylindol-5-yl)ethenyl]-2-(trifluoromethyl)quinoline
PubChem CID155522517
Molecular FormulaC21H15F3N2
Molecular Weight352.36 g/mol
Exact Mass352.12
IUPAC Name4-[1-(1-methylindol-5-yl)ethenyl]-2-(trifluoromethyl)quinoline
SMILESC=C(c1ccc2c(ccn2C)c1)c1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C21H15F3N2/c1-13(14-7-8-19-15(11-14)9-10-26(19)2)17-12-20(21(22,23)24)25-18-6-4-3-5-16(17)18/h3-12H,1H2,2H3
InChIKeyQENTWNCTUKJALL-UHFFFAOYSA-N
XLogP5.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.36
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-methylindol-5-yl)ethenyl]-2-(trifluoromethyl)quinoline?
The IUPAC name of 4-[1-(1-methylindol-5-yl)ethenyl]-2-(trifluoromethyl)quinoline (CID 155522517) is 4-[1-(1-methylindol-5-yl)ethenyl]-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-[1-(1-methylindol-5-yl)ethenyl]-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4-[1-(1-methylindol-5-yl)ethenyl]-2-(trifluoromethyl)quinoline is C=C(c1ccc2c(ccn2C)c1)c1cc(C(F)(F)F)nc2ccccc12.
What is the InChIKey of 4-[1-(1-methylindol-5-yl)ethenyl]-2-(trifluoromethyl)quinoline?
The InChIKey is QENTWNCTUKJALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2/c1-13(14-7-8-19-15(11-14)9-10-26(19)2)17-12-20(21(22,23)24)25-18-6-4-3-5-16(17)18/h3-12H,1H2,2H3.
What are the key properties of 4-[1-(1-methylindol-5-yl)ethenyl]-2-(trifluoromethyl)quinoline?
4-[1-(1-methylindol-5-yl)ethenyl]-2-(trifluoromethyl)quinoline has a molecular weight of 352.36 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-methylindol-5-yl)ethenyl]-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 155522517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).