3,4-dihydroisoquinolin-7-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone

C16H11F3N2O — CID 175797767

IUPAC3,4-dihydroisoquinolin-7-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)c1ccc2c(c1)C=NCC2
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)14-4-3-12(9-21-14)15(22)11-2-1-10-5-6-20-8-13(10)7-11/h1-4,7-9H,5-6H2
InChIKeyDPLUEKOTTHXKJY-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.31
Rot. Bonds2

About 3,4-dihydroisoquinolin-7-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone

3,4-dihydroisoquinolin-7-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 175797767) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 3,4-dihydroisoquinolin-7-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name3,4-dihydroisoquinolin-7-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID175797767
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name3,4-dihydroisoquinolin-7-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)c1ccc2c(c1)C=NCC2
InChIInChI=1S/C16H11F3N2O/c17-16(18,19)14-4-3-12(9-21-14)15(22)11-2-1-10-5-6-20-8-13(10)7-11/h1-4,7-9H,5-6H2
InChIKeyDPLUEKOTTHXKJY-UHFFFAOYSA-N
XLogP3.31
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydroisoquinolin-7-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroisoquinolin-7-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of 3,4-dihydroisoquinolin-7-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 175797767) is 3,4-dihydroisoquinolin-7-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for 3,4-dihydroisoquinolin-7-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for 3,4-dihydroisoquinolin-7-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)nc1)c1ccc2c(c1)C=NCC2.
What is the InChIKey of 3,4-dihydroisoquinolin-7-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is DPLUEKOTTHXKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-16(18,19)14-4-3-12(9-21-14)15(22)11-2-1-10-5-6-20-8-13(10)7-11/h1-4,7-9H,5-6H2.
What are the key properties of 3,4-dihydroisoquinolin-7-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone?
3,4-dihydroisoquinolin-7-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 304.27 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroisoquinolin-7-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 175797767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).