7-fluoro-8-methyl-3,4-dihydro-2H-isoquinolin-1-one

C10H10FNO — CID 138976710

IUPAC7-fluoro-8-methyl-3,4-dihydro-2H-isoquinolin-1-one
SMILESCc1c(F)ccc2c1C(=O)NCC2
InChIInChI=1S/C10H10FNO/c1-6-8(11)3-2-7-4-5-12-10(13)9(6)7/h2-3H,4-5H2,1H3,(H,12,13)
InChIKeyXRWDPSYYIUHNCA-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.42
Rot. Bonds

About 7-fluoro-8-methyl-3,4-dihydro-2H-isoquinolin-1-one

7-fluoro-8-methyl-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 138976710) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 7-fluoro-8-methyl-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-fluoro-8-methyl-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID138976710
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name7-fluoro-8-methyl-3,4-dihydro-2H-isoquinolin-1-one
SMILESCc1c(F)ccc2c1C(=O)NCC2
InChIInChI=1S/C10H10FNO/c1-6-8(11)3-2-7-4-5-12-10(13)9(6)7/h2-3H,4-5H2,1H3,(H,12,13)
InChIKeyXRWDPSYYIUHNCA-UHFFFAOYSA-N
XLogP1.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-methyl-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 7-fluoro-8-methyl-3,4-dihydro-2H-isoquinolin-1-one (CID 138976710) is 7-fluoro-8-methyl-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 7-fluoro-8-methyl-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 7-fluoro-8-methyl-3,4-dihydro-2H-isoquinolin-1-one is Cc1c(F)ccc2c1C(=O)NCC2.
What is the InChIKey of 7-fluoro-8-methyl-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is XRWDPSYYIUHNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-6-8(11)3-2-7-4-5-12-10(13)9(6)7/h2-3H,4-5H2,1H3,(H,12,13).
What are the key properties of 7-fluoro-8-methyl-3,4-dihydro-2H-isoquinolin-1-one?
7-fluoro-8-methyl-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 179.19 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-methyl-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 138976710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).