6-(2-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]-3,4-dihydroisoquinolin-1-one

C23H19F2NO — CID 165177849

IUPAC6-(2-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccc(-c3ccccc3F)cc2CCN1CCc1ccccc1F
InChIInChI=1S/C23H19F2NO/c24-21-7-3-1-5-16(21)11-13-26-14-12-18-15-17(9-10-20(18)23(26)27)19-6-2-4-8-22(19)25/h1-10,15H,11-14H2
InChIKeyNNFLPYQLLLCVJR-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.87
Rot. Bonds4

About 6-(2-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]-3,4-dihydroisoquinolin-1-one

6-(2-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]-3,4-dihydroisoquinolin-1-one (PubChem CID 165177849) has the molecular formula C23H19F2NO and a molecular weight of 363.41 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-(2-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]-3,4-dihydroisoquinolin-1-one
PubChem CID165177849
Molecular FormulaC23H19F2NO
Molecular Weight363.41 g/mol
Exact Mass363.14
IUPAC Name6-(2-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccc(-c3ccccc3F)cc2CCN1CCc1ccccc1F
InChIInChI=1S/C23H19F2NO/c24-21-7-3-1-5-16(21)11-13-26-14-12-18-15-17(9-10-20(18)23(26)27)19-6-2-4-8-22(19)25/h1-10,15H,11-14H2
InChIKeyNNFLPYQLLLCVJR-UHFFFAOYSA-N
XLogP4.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(2-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]-3,4-dihydroisoquinolin-1-one with MolForge

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

Launch Full Analysis

Related Compounds

6-phenyl-2-(2-phenylethyl)-3,4-dihydroisoquinolin-1-one
CID 165177850
1-[2-(2-fluorophenyl)ethyl]-1,3-diazinane-2,4-dione
CID 79778174
2-(2-aminoethyl)-6-fluoro-3,4-dihydroisoquinolin-1-one
CID 82279729
3-[6-[(2,3-difluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanamide
CID 22641905
ethyl 3-fluoro-4-[1-oxo-2-(2-pyrrolidin-1-ylethyl)-3,4-dihydroisoquinolin-6-yl]benzoate
CID 142784107
2-(2-aminoethyl)-7-phenyl-3,4-dihydroisoquinolin-1-one
CID 82487041
2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 115873461
(2S)-1'-[2-(2-fluorophenyl)ethyl]-6-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one
CID 70916524
2-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 10859894
6-hydroxy-2-(2-hydroxyethyl)-3,4-dihydroisoquinolin-1-one
CID 115025100
2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
CID 115773461
2-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 103857929

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6-(2-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]-3,4-dihydroisoquinolin-1-one (CID 165177849) is 6-(2-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-(2-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6-(2-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]-3,4-dihydroisoquinolin-1-one is O=C1c2ccc(-c3ccccc3F)cc2CCN1CCc1ccccc1F.
What is the InChIKey of 6-(2-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]-3,4-dihydroisoquinolin-1-one?
The InChIKey is NNFLPYQLLLCVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NO/c24-21-7-3-1-5-16(21)11-13-26-14-12-18-15-17(9-10-20(18)23(26)27)19-6-2-4-8-22(19)25/h1-10,15H,11-14H2.
What are the key properties of 6-(2-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]-3,4-dihydroisoquinolin-1-one?
6-(2-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 363.41 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-2-[2-(2-fluorophenyl)ethyl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 165177849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).