2-[7-(trifluoromethyl)-1H-indol-3-yl]quinoline

C18H11F3N2 — CID 153485154

IUPAC2-[7-(trifluoromethyl)-1H-indol-3-yl]quinoline
SMILESFC(F)(F)c1cccc2c(-c3ccc4ccccc4n3)c[nH]c12
InChIInChI=1S/C18H11F3N2/c19-18(20,21)14-6-3-5-12-13(10-22-17(12)14)16-9-8-11-4-1-2-7-15(11)23-16/h1-10,22H
InChIKeyIXQSIRCWJWUQJO-UHFFFAOYSA-N
MW312.29 g/mol
LogP5.40
Rot. Bonds1

About 2-[7-(trifluoromethyl)-1H-indol-3-yl]quinoline

2-[7-(trifluoromethyl)-1H-indol-3-yl]quinoline (PubChem CID 153485154) has the molecular formula C18H11F3N2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-[7-(trifluoromethyl)-1H-indol-3-yl]quinoline.

Molecular Properties

Compound Name2-[7-(trifluoromethyl)-1H-indol-3-yl]quinoline
PubChem CID153485154
Molecular FormulaC18H11F3N2
Molecular Weight312.29 g/mol
Exact Mass312.09
IUPAC Name2-[7-(trifluoromethyl)-1H-indol-3-yl]quinoline
SMILESFC(F)(F)c1cccc2c(-c3ccc4ccccc4n3)c[nH]c12
InChIInChI=1S/C18H11F3N2/c19-18(20,21)14-6-3-5-12-13(10-22-17(12)14)16-9-8-11-4-1-2-7-15(11)23-16/h1-10,22H
InChIKeyIXQSIRCWJWUQJO-UHFFFAOYSA-N
XLogP5.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.29
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(7-chloro-1H-indol-3-yl)quinoline
CID 118449837
2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline
CID 144941135
ethane;2-[6-(trifluoromethyl)-1H-indol-3-yl]quinoline
CID 144941214
2-(7-fluoro-5-methyl-1H-indol-3-yl)quinoline
CID 118449025
N-(2-methoxyethyl)-2-methyl-6-[7-(trifluoromethyl)-1H-indol-3-yl]pyridin-3-amine
CID 167350850
2-(4-quinolin-2-yl-1H-pyrrol-3-yl)quinoline
CID 54524072
2-naphthalen-2-yl-5-(trifluoromethyl)quinoline
CID 167209787
2-(7-bromo-1H-indol-3-yl)-5-fluoroquinoline
CID 118449886
5-[7-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-4-carboxylic acid
CID 136986130
2-(2-fluorophenyl)quinoline
CID 11622684
5-chloro-2-(7-methyl-1H-indol-3-yl)quinoline
CID 118449891
3-iodo-8-(trifluoromethyl)-1H-quinolin-4-one
CID 102537545

Frequently Asked Questions

What is the IUPAC name of 2-[7-(trifluoromethyl)-1H-indol-3-yl]quinoline?
The IUPAC name of 2-[7-(trifluoromethyl)-1H-indol-3-yl]quinoline (CID 153485154) is 2-[7-(trifluoromethyl)-1H-indol-3-yl]quinoline.
What is the SMILES notation for 2-[7-(trifluoromethyl)-1H-indol-3-yl]quinoline?
The canonical SMILES for 2-[7-(trifluoromethyl)-1H-indol-3-yl]quinoline is FC(F)(F)c1cccc2c(-c3ccc4ccccc4n3)c[nH]c12.
What is the InChIKey of 2-[7-(trifluoromethyl)-1H-indol-3-yl]quinoline?
The InChIKey is IXQSIRCWJWUQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2/c19-18(20,21)14-6-3-5-12-13(10-22-17(12)14)16-9-8-11-4-1-2-7-15(11)23-16/h1-10,22H.
What are the key properties of 2-[7-(trifluoromethyl)-1H-indol-3-yl]quinoline?
2-[7-(trifluoromethyl)-1H-indol-3-yl]quinoline has a molecular weight of 312.29 g/mol, XLogP of 5.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(trifluoromethyl)-1H-indol-3-yl]quinoline is sourced from PubChem (CID 153485154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).