2-(5,6,7-trifluoro-1H-indol-3-yl)-5-(trifluoromethyl)quinoline

C18H8F6N2 — CID 118449741

IUPAC2-(5,6,7-trifluoro-1H-indol-3-yl)-5-(trifluoromethyl)quinoline
SMILESFc1cc2c(-c3ccc4c(C(F)(F)F)cccc4n3)c[nH]c2c(F)c1F
InChIInChI=1S/C18H8F6N2/c19-12-6-9-10(7-25-17(9)16(21)15(12)20)14-5-4-8-11(18(22,23)24)2-1-3-13(8)26-14/h1-7,25H
InChIKeyHTBJZSAUGVSIOK-UHFFFAOYSA-N
MW366.26 g/mol
LogP5.82
Rot. Bonds1

About 2-(5,6,7-trifluoro-1H-indol-3-yl)-5-(trifluoromethyl)quinoline

2-(5,6,7-trifluoro-1H-indol-3-yl)-5-(trifluoromethyl)quinoline (PubChem CID 118449741) has the molecular formula C18H8F6N2 and a molecular weight of 366.26 g/mol. Its IUPAC name is 2-(5,6,7-trifluoro-1H-indol-3-yl)-5-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-(5,6,7-trifluoro-1H-indol-3-yl)-5-(trifluoromethyl)quinoline
PubChem CID118449741
Molecular FormulaC18H8F6N2
Molecular Weight366.26 g/mol
Exact Mass366.06
IUPAC Name2-(5,6,7-trifluoro-1H-indol-3-yl)-5-(trifluoromethyl)quinoline
SMILESFc1cc2c(-c3ccc4c(C(F)(F)F)cccc4n3)c[nH]c2c(F)c1F
InChIInChI=1S/C18H8F6N2/c19-12-6-9-10(7-25-17(9)16(21)15(12)20)14-5-4-8-11(18(22,23)24)2-1-3-13(8)26-14/h1-7,25H
InChIKeyHTBJZSAUGVSIOK-UHFFFAOYSA-N
XLogP5.82
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.26
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7-trifluoro-1H-indol-3-yl)-5-(trifluoromethyl)quinoline?
The IUPAC name of 2-(5,6,7-trifluoro-1H-indol-3-yl)-5-(trifluoromethyl)quinoline (CID 118449741) is 2-(5,6,7-trifluoro-1H-indol-3-yl)-5-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-(5,6,7-trifluoro-1H-indol-3-yl)-5-(trifluoromethyl)quinoline?
The canonical SMILES for 2-(5,6,7-trifluoro-1H-indol-3-yl)-5-(trifluoromethyl)quinoline is Fc1cc2c(-c3ccc4c(C(F)(F)F)cccc4n3)c[nH]c2c(F)c1F.
What is the InChIKey of 2-(5,6,7-trifluoro-1H-indol-3-yl)-5-(trifluoromethyl)quinoline?
The InChIKey is HTBJZSAUGVSIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8F6N2/c19-12-6-9-10(7-25-17(9)16(21)15(12)20)14-5-4-8-11(18(22,23)24)2-1-3-13(8)26-14/h1-7,25H.
What are the key properties of 2-(5,6,7-trifluoro-1H-indol-3-yl)-5-(trifluoromethyl)quinoline?
2-(5,6,7-trifluoro-1H-indol-3-yl)-5-(trifluoromethyl)quinoline has a molecular weight of 366.26 g/mol, XLogP of 5.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7-trifluoro-1H-indol-3-yl)-5-(trifluoromethyl)quinoline is sourced from PubChem (CID 118449741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).