2-[2-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoquinolin-1-one

C20H17FN2O2 — CID 154838952

IUPAC2-[2-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoquinolin-1-one
SMILESO=C(Cn1ccc2ccccc2c1=O)N1CCc2cccc(F)c2C1
InChIInChI=1S/C20H17FN2O2/c21-18-7-3-5-15-8-10-22(12-17(15)18)19(24)13-23-11-9-14-4-1-2-6-16(14)20(23)25/h1-7,9,11H,8,10,12-13H2
InChIKeyILPLCZZDQCIQNK-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.73
Rot. Bonds2

About 2-[2-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoquinolin-1-one

2-[2-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoquinolin-1-one (PubChem CID 154838952) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-[2-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoquinolin-1-one.

Molecular Properties

Compound Name2-[2-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoquinolin-1-one
PubChem CID154838952
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name2-[2-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoquinolin-1-one
SMILESO=C(Cn1ccc2ccccc2c1=O)N1CCc2cccc(F)c2C1
InChIInChI=1S/C20H17FN2O2/c21-18-7-3-5-15-8-10-22(12-17(15)18)19(24)13-23-11-9-14-4-1-2-6-16(14)20(23)25/h1-7,9,11H,8,10,12-13H2
InChIKeyILPLCZZDQCIQNK-UHFFFAOYSA-N
XLogP2.73
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoquinolin-1-one with MolForge

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Related Compounds

4-[2-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1H-1,2,4-triazol-5-one
CID 154840891
2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-oxoethyl]isoquinolin-1-one
CID 72886332
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone
CID 39338416
2-[2-oxo-2-[(4S)-4-phenylazepan-1-yl]ethyl]isoquinolin-1-one
CID 97269389
7-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-dimethylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 53111900
10-acetyl-11,12-dihydro-9H-isoquinolino[2,1-b][2,7]naphthyridin-8-one
CID 14920391
4-[2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2H-phthalazin-1-one
CID 166185768
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
2-[2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-oxoethyl]isoquinolin-1-one
CID 124739149
(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 96999767
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylisoquinolin-1-one
CID 5058983
2-(6-bromoindol-1-yl)-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 71753370

Frequently Asked Questions

What is the IUPAC name of 2-[2-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoquinolin-1-one?
The IUPAC name of 2-[2-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoquinolin-1-one (CID 154838952) is 2-[2-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoquinolin-1-one.
What is the SMILES notation for 2-[2-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoquinolin-1-one?
The canonical SMILES for 2-[2-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoquinolin-1-one is O=C(Cn1ccc2ccccc2c1=O)N1CCc2cccc(F)c2C1.
What is the InChIKey of 2-[2-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoquinolin-1-one?
The InChIKey is ILPLCZZDQCIQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c21-18-7-3-5-15-8-10-22(12-17(15)18)19(24)13-23-11-9-14-4-1-2-6-16(14)20(23)25/h1-7,9,11H,8,10,12-13H2.
What are the key properties of 2-[2-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoquinolin-1-one?
2-[2-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoquinolin-1-one has a molecular weight of 336.37 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(8-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoquinolin-1-one is sourced from PubChem (CID 154838952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).