2-(2-fluorophenyl)isoquinolin-1-one

C15H10FNO — CID 156767653

IUPAC2-(2-fluorophenyl)isoquinolin-1-one
SMILESO=c1c2ccccc2ccn1-c1ccccc1F
InChIInChI=1S/C15H10FNO/c16-13-7-3-4-8-14(13)17-10-9-11-5-1-2-6-12(11)15(17)18/h1-10H
InChIKeyIRZIWTDEMCZVBE-UHFFFAOYSA-N
MW239.25 g/mol
LogP3.13
Rot. Bonds1

About 2-(2-fluorophenyl)isoquinolin-1-one

2-(2-fluorophenyl)isoquinolin-1-one (PubChem CID 156767653) has the molecular formula C15H10FNO and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-(2-fluorophenyl)isoquinolin-1-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)isoquinolin-1-one
PubChem CID156767653
Molecular FormulaC15H10FNO
Molecular Weight239.25 g/mol
Exact Mass239.07
IUPAC Name2-(2-fluorophenyl)isoquinolin-1-one
SMILESO=c1c2ccccc2ccn1-c1ccccc1F
InChIInChI=1S/C15H10FNO/c16-13-7-3-4-8-14(13)17-10-9-11-5-1-2-6-12(11)15(17)18/h1-10H
InChIKeyIRZIWTDEMCZVBE-UHFFFAOYSA-N
XLogP3.13
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Quinolinecarbonitrile, 1,2-dihydro-1-benzoyl-
CID 26219
2,3-Dihydro-2-phenyl-1H-isoindol-1-one
CID 97035
2-Toluanilide
CID 23466
N-(4-Fluorophenyl)benzamide
CID 242889
2-fluoro-N-(4-fluorophenyl)benzamide
CID 531933
N-(4-fluorophenyl)naphthalene-1-carboxamide
CID 532199
N,N-Diphenylbenzamide
CID 101250
Benzoylfentanyl
CID 139025450
1-Benzoyl-4-phenylpiperazine
CID 258240
N-Methylbenzanilide
CID 74736
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylbenzamide Fumarate
CID 10250291
2-[4-(dimethylamino)phenyl]-3H-isoindol-1-one
CID 11054136

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)isoquinolin-1-one?
The IUPAC name of 2-(2-fluorophenyl)isoquinolin-1-one (CID 156767653) is 2-(2-fluorophenyl)isoquinolin-1-one.
What is the SMILES notation for 2-(2-fluorophenyl)isoquinolin-1-one?
The canonical SMILES for 2-(2-fluorophenyl)isoquinolin-1-one is O=c1c2ccccc2ccn1-c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)isoquinolin-1-one?
The InChIKey is IRZIWTDEMCZVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO/c16-13-7-3-4-8-14(13)17-10-9-11-5-1-2-6-12(11)15(17)18/h1-10H.
What are the key properties of 2-(2-fluorophenyl)isoquinolin-1-one?
2-(2-fluorophenyl)isoquinolin-1-one has a molecular weight of 239.25 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)isoquinolin-1-one is sourced from PubChem (CID 156767653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).