4-indol-1-yl-7-methyl-2-(trifluoromethyl)quinoline

C19H13F3N2 — CID 71121660

IUPAC4-indol-1-yl-7-methyl-2-(trifluoromethyl)quinoline
SMILESCc1ccc2c(-n3ccc4ccccc43)cc(C(F)(F)F)nc2c1
InChIInChI=1S/C19H13F3N2/c1-12-6-7-14-15(10-12)23-18(19(20,21)22)11-17(14)24-9-8-13-4-2-3-5-16(13)24/h2-11H,1H3
InChIKeyORSRQLKDVGXODP-UHFFFAOYSA-N
MW326.32 g/mol
LogP5.51
Rot. Bonds1

About 4-indol-1-yl-7-methyl-2-(trifluoromethyl)quinoline

4-indol-1-yl-7-methyl-2-(trifluoromethyl)quinoline (PubChem CID 71121660) has the molecular formula C19H13F3N2 and a molecular weight of 326.32 g/mol. Its IUPAC name is 4-indol-1-yl-7-methyl-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-indol-1-yl-7-methyl-2-(trifluoromethyl)quinoline
PubChem CID71121660
Molecular FormulaC19H13F3N2
Molecular Weight326.32 g/mol
Exact Mass326.10
IUPAC Name4-indol-1-yl-7-methyl-2-(trifluoromethyl)quinoline
SMILESCc1ccc2c(-n3ccc4ccccc43)cc(C(F)(F)F)nc2c1
InChIInChI=1S/C19H13F3N2/c1-12-6-7-14-15(10-12)23-18(19(20,21)22)11-17(14)24-9-8-13-4-2-3-5-16(13)24/h2-11H,1H3
InChIKeyORSRQLKDVGXODP-UHFFFAOYSA-N
XLogP5.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.32
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-indol-1-yl-7-methyl-2-(trifluoromethyl)quinoline?
The IUPAC name of 4-indol-1-yl-7-methyl-2-(trifluoromethyl)quinoline (CID 71121660) is 4-indol-1-yl-7-methyl-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-indol-1-yl-7-methyl-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4-indol-1-yl-7-methyl-2-(trifluoromethyl)quinoline is Cc1ccc2c(-n3ccc4ccccc43)cc(C(F)(F)F)nc2c1.
What is the InChIKey of 4-indol-1-yl-7-methyl-2-(trifluoromethyl)quinoline?
The InChIKey is ORSRQLKDVGXODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2/c1-12-6-7-14-15(10-12)23-18(19(20,21)22)11-17(14)24-9-8-13-4-2-3-5-16(13)24/h2-11H,1H3.
What are the key properties of 4-indol-1-yl-7-methyl-2-(trifluoromethyl)quinoline?
4-indol-1-yl-7-methyl-2-(trifluoromethyl)quinoline has a molecular weight of 326.32 g/mol, XLogP of 5.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-yl-7-methyl-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 71121660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).