8-fluoro-1-methyl-2H-isoquinolin-3-one

C10H8FNO — CID 166535895

IUPAC8-fluoro-1-methyl-2H-isoquinolin-3-one
SMILESCc1[nH]c(=O)cc2cccc(F)c12
InChIInChI=1S/C10H8FNO/c1-6-10-7(5-9(13)12-6)3-2-4-8(10)11/h2-5H,1H3,(H,12,13)
InChIKeyWXJHUGUREVCKNS-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.98
Rot. Bonds

About 8-fluoro-1-methyl-2H-isoquinolin-3-one

8-fluoro-1-methyl-2H-isoquinolin-3-one (PubChem CID 166535895) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 8-fluoro-1-methyl-2H-isoquinolin-3-one.

Molecular Properties

Compound Name8-fluoro-1-methyl-2H-isoquinolin-3-one
PubChem CID166535895
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name8-fluoro-1-methyl-2H-isoquinolin-3-one
SMILESCc1[nH]c(=O)cc2cccc(F)c12
InChIInChI=1S/C10H8FNO/c1-6-10-7(5-9(13)12-6)3-2-4-8(10)11/h2-5H,1H3,(H,12,13)
InChIKeyWXJHUGUREVCKNS-UHFFFAOYSA-N
XLogP1.98
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8-fluoro-1-methyl-2H-isoquinolin-3-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

8-ethyl-7-fluoro-1-methyl-2H-isoquinolin-3-one
CID 176630900
1,8-difluoro-3-methylnaphthalene
CID 138605074
4,8-difluoro-3-methyl-2H-isoquinolin-1-one
CID 175981431
5-fluoro-2-methyl-3H-quinazolin-4-one
CID 135438096
4-(2-amino-6-fluorophenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 114578866
4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one
CID 136769233
8-fluoro-1-methylisoquinolin-3-amine
CID 53419053
4,21-difluoro-9-methylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
CID 23236126
ethane;8-fluoro-2-(3-fluorophenyl)-3-methylisoquinolin-1-one
CID 144810862
2,8-difluoro-1-methylnaphthalene
CID 138605112
2-benzyl-8-fluoro-3-methylisoquinolin-1-one
CID 86080289
6-(4-fluoro-1H-indol-2-yl)-4-methyl-1H-pyridin-2-one
CID 144764054

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-methyl-2H-isoquinolin-3-one?
The IUPAC name of 8-fluoro-1-methyl-2H-isoquinolin-3-one (CID 166535895) is 8-fluoro-1-methyl-2H-isoquinolin-3-one.
What is the SMILES notation for 8-fluoro-1-methyl-2H-isoquinolin-3-one?
The canonical SMILES for 8-fluoro-1-methyl-2H-isoquinolin-3-one is Cc1[nH]c(=O)cc2cccc(F)c12.
What is the InChIKey of 8-fluoro-1-methyl-2H-isoquinolin-3-one?
The InChIKey is WXJHUGUREVCKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c1-6-10-7(5-9(13)12-6)3-2-4-8(10)11/h2-5H,1H3,(H,12,13).
What are the key properties of 8-fluoro-1-methyl-2H-isoquinolin-3-one?
8-fluoro-1-methyl-2H-isoquinolin-3-one has a molecular weight of 177.18 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-methyl-2H-isoquinolin-3-one is sourced from PubChem (CID 166535895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).