7-fluoro-6-methoxy-2H-isoquinolin-3-one

C10H8FNO2 — CID 144609848

IUPAC7-fluoro-6-methoxy-2H-isoquinolin-3-one
SMILESCOc1cc2cc(=O)[nH]cc2cc1F
InChIInChI=1S/C10H8FNO2/c1-14-9-3-6-4-10(13)12-5-7(6)2-8(9)11/h2-5H,1H3,(H,12,13)
InChIKeyRSGFUTCBEZJOND-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.68
Rot. Bonds1

About 7-fluoro-6-methoxy-2H-isoquinolin-3-one

7-fluoro-6-methoxy-2H-isoquinolin-3-one (PubChem CID 144609848) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-2H-isoquinolin-3-one.

Molecular Properties

Compound Name7-fluoro-6-methoxy-2H-isoquinolin-3-one
PubChem CID144609848
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name7-fluoro-6-methoxy-2H-isoquinolin-3-one
SMILESCOc1cc2cc(=O)[nH]cc2cc1F
InChIInChI=1S/C10H8FNO2/c1-14-9-3-6-4-10(13)12-5-7(6)2-8(9)11/h2-5H,1H3,(H,12,13)
InChIKeyRSGFUTCBEZJOND-UHFFFAOYSA-N
XLogP1.68
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-5-(methoxymethoxy)-1H-pyridin-2-one
CID 58047120
4-methoxy-6-oxo-1H-pyridine-3-carbonyl chloride
CID 45081639
4-methoxy-5-nitro-1H-pyridin-2-one
CID 26370134
5-(4-fluoro-3-methoxyphenyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 53223404
5-fluoro-6-methoxy-2-methyl-1H-indole;methyl formate
CID 144996572
5-bromo-4-fluoro-1H-pyridin-2-one
CID 118408416
8,9-dimethoxy-3-oxo-2H-benzo[h]isoquinoline-6-carboxylic acid
CID 87764780
3-ethyl-6-fluoro-5-methoxy-1H-indole
CID 22356057
5-(3-fluoro-4-methoxyphenyl)-1H-pyrimidine-2,4-dione
CID 53222321
5-(4-fluoro-2-methoxyphenyl)-1H-pyridin-2-one
CID 122200254
(5-fluoro-2,4-dimethoxyphenyl)boronic acid
CID 164893901
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-2H-isoquinolin-3-one?
The IUPAC name of 7-fluoro-6-methoxy-2H-isoquinolin-3-one (CID 144609848) is 7-fluoro-6-methoxy-2H-isoquinolin-3-one.
What is the SMILES notation for 7-fluoro-6-methoxy-2H-isoquinolin-3-one?
The canonical SMILES for 7-fluoro-6-methoxy-2H-isoquinolin-3-one is COc1cc2cc(=O)[nH]cc2cc1F.
What is the InChIKey of 7-fluoro-6-methoxy-2H-isoquinolin-3-one?
The InChIKey is RSGFUTCBEZJOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-14-9-3-6-4-10(13)12-5-7(6)2-8(9)11/h2-5H,1H3,(H,12,13).
What are the key properties of 7-fluoro-6-methoxy-2H-isoquinolin-3-one?
7-fluoro-6-methoxy-2H-isoquinolin-3-one has a molecular weight of 193.18 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-2H-isoquinolin-3-one is sourced from PubChem (CID 144609848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).