7-fluoro-5-methoxy-2H-isoquinolin-1-one

C10H8FNO2 — CID 71742702

IUPAC7-fluoro-5-methoxy-2H-isoquinolin-1-one
SMILESCOc1cc(F)cc2c(=O)[nH]ccc12
InChIInChI=1S/C10H8FNO2/c1-14-9-5-6(11)4-8-7(9)2-3-12-10(8)13/h2-5H,1H3,(H,12,13)
InChIKeyCYZUERHDVGDILO-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.68
Rot. Bonds1

About 7-fluoro-5-methoxy-2H-isoquinolin-1-one

7-fluoro-5-methoxy-2H-isoquinolin-1-one (PubChem CID 71742702) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 7-fluoro-5-methoxy-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-fluoro-5-methoxy-2H-isoquinolin-1-one
PubChem CID71742702
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name7-fluoro-5-methoxy-2H-isoquinolin-1-one
SMILESCOc1cc(F)cc2c(=O)[nH]ccc12
InChIInChI=1S/C10H8FNO2/c1-14-9-5-6(11)4-8-7(9)2-3-12-10(8)13/h2-5H,1H3,(H,12,13)
InChIKeyCYZUERHDVGDILO-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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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methoxy-2H-isoquinolin-1-one?
The IUPAC name of 7-fluoro-5-methoxy-2H-isoquinolin-1-one (CID 71742702) is 7-fluoro-5-methoxy-2H-isoquinolin-1-one.
What is the SMILES notation for 7-fluoro-5-methoxy-2H-isoquinolin-1-one?
The canonical SMILES for 7-fluoro-5-methoxy-2H-isoquinolin-1-one is COc1cc(F)cc2c(=O)[nH]ccc12.
What is the InChIKey of 7-fluoro-5-methoxy-2H-isoquinolin-1-one?
The InChIKey is CYZUERHDVGDILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-14-9-5-6(11)4-8-7(9)2-3-12-10(8)13/h2-5H,1H3,(H,12,13).
What are the key properties of 7-fluoro-5-methoxy-2H-isoquinolin-1-one?
7-fluoro-5-methoxy-2H-isoquinolin-1-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-5-methoxy-2H-isoquinolin-1-one is sourced from PubChem (CID 71742702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).