7-fluoro-1-hydroxy-2-methylisoquinolin-3-one

C10H8FNO2 — CID 91059203

IUPAC7-fluoro-1-hydroxy-2-methylisoquinolin-3-one
SMILESCn1c(O)c2cc(F)ccc2cc1=O
InChIInChI=1S/C10H8FNO2/c1-12-9(13)4-6-2-3-7(11)5-8(6)10(12)14/h2-5,14H,1H3
InChIKeyHCIDJJJDUQWPFO-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.38
Rot. Bonds

About 7-fluoro-1-hydroxy-2-methylisoquinolin-3-one

7-fluoro-1-hydroxy-2-methylisoquinolin-3-one (PubChem CID 91059203) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 7-fluoro-1-hydroxy-2-methylisoquinolin-3-one.

Molecular Properties

Compound Name7-fluoro-1-hydroxy-2-methylisoquinolin-3-one
PubChem CID91059203
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name7-fluoro-1-hydroxy-2-methylisoquinolin-3-one
SMILESCn1c(O)c2cc(F)ccc2cc1=O
InChIInChI=1S/C10H8FNO2/c1-12-9(13)4-6-2-3-7(11)5-8(6)10(12)14/h2-5,14H,1H3
InChIKeyHCIDJJJDUQWPFO-UHFFFAOYSA-N
XLogP1.38
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-1-hydroxy-2-methylisoquinolin-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

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-hydroxy-2-methylisoquinolin-3-one?
The IUPAC name of 7-fluoro-1-hydroxy-2-methylisoquinolin-3-one (CID 91059203) is 7-fluoro-1-hydroxy-2-methylisoquinolin-3-one.
What is the SMILES notation for 7-fluoro-1-hydroxy-2-methylisoquinolin-3-one?
The canonical SMILES for 7-fluoro-1-hydroxy-2-methylisoquinolin-3-one is Cn1c(O)c2cc(F)ccc2cc1=O.
What is the InChIKey of 7-fluoro-1-hydroxy-2-methylisoquinolin-3-one?
The InChIKey is HCIDJJJDUQWPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-12-9(13)4-6-2-3-7(11)5-8(6)10(12)14/h2-5,14H,1H3.
What are the key properties of 7-fluoro-1-hydroxy-2-methylisoquinolin-3-one?
7-fluoro-1-hydroxy-2-methylisoquinolin-3-one has a molecular weight of 193.18 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-hydroxy-2-methylisoquinolin-3-one is sourced from PubChem (CID 91059203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).