6-fluoro-7-hydroxy-4-methyl-3,4-dihydro-2H-isoquinolin-1-one

C10H10FNO2 — CID 146174126

IUPAC6-fluoro-7-hydroxy-4-methyl-3,4-dihydro-2H-isoquinolin-1-one
SMILESCC1CNC(=O)c2cc(O)c(F)cc21
InChIInChI=1S/C10H10FNO2/c1-5-4-12-10(14)7-3-9(13)8(11)2-6(5)7/h2-3,5,13H,4H2,1H3,(H,12,14)
InChIKeyQVCLVXDUTOXNKU-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.38
Rot. Bonds

About 6-fluoro-7-hydroxy-4-methyl-3,4-dihydro-2H-isoquinolin-1-one

6-fluoro-7-hydroxy-4-methyl-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 146174126) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 6-fluoro-7-hydroxy-4-methyl-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-fluoro-7-hydroxy-4-methyl-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID146174126
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name6-fluoro-7-hydroxy-4-methyl-3,4-dihydro-2H-isoquinolin-1-one
SMILESCC1CNC(=O)c2cc(O)c(F)cc21
InChIInChI=1S/C10H10FNO2/c1-5-4-12-10(14)7-3-9(13)8(11)2-6(5)7/h2-3,5,13H,4H2,1H3,(H,12,14)
InChIKeyQVCLVXDUTOXNKU-UHFFFAOYSA-N
XLogP1.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-hydroxy-4-methyl-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 6-fluoro-7-hydroxy-4-methyl-3,4-dihydro-2H-isoquinolin-1-one (CID 146174126) is 6-fluoro-7-hydroxy-4-methyl-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 6-fluoro-7-hydroxy-4-methyl-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 6-fluoro-7-hydroxy-4-methyl-3,4-dihydro-2H-isoquinolin-1-one is CC1CNC(=O)c2cc(O)c(F)cc21.
What is the InChIKey of 6-fluoro-7-hydroxy-4-methyl-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is QVCLVXDUTOXNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-5-4-12-10(14)7-3-9(13)8(11)2-6(5)7/h2-3,5,13H,4H2,1H3,(H,12,14).
What are the key properties of 6-fluoro-7-hydroxy-4-methyl-3,4-dihydro-2H-isoquinolin-1-one?
6-fluoro-7-hydroxy-4-methyl-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 195.19 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-hydroxy-4-methyl-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 146174126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).