5-fluoro-1,4-dimethyl-2H-isoquinolin-3-one

C11H10FNO — CID 123235294

IUPAC5-fluoro-1,4-dimethyl-2H-isoquinolin-3-one
SMILESCc1[nH]c(=O)c(C)c2c(F)cccc12
InChIInChI=1S/C11H10FNO/c1-6-10-8(4-3-5-9(10)12)7(2)13-11(6)14/h3-5H,1-2H3,(H,13,14)
InChIKeyPGPPYXIXDQLAKR-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.28
Rot. Bonds

About 5-fluoro-1,4-dimethyl-2H-isoquinolin-3-one

5-fluoro-1,4-dimethyl-2H-isoquinolin-3-one (PubChem CID 123235294) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is 5-fluoro-1,4-dimethyl-2H-isoquinolin-3-one.

Molecular Properties

Compound Name5-fluoro-1,4-dimethyl-2H-isoquinolin-3-one
PubChem CID123235294
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name5-fluoro-1,4-dimethyl-2H-isoquinolin-3-one
SMILESCc1[nH]c(=O)c(C)c2c(F)cccc12
InChIInChI=1S/C11H10FNO/c1-6-10-8(4-3-5-9(10)12)7(2)13-11(6)14/h3-5H,1-2H3,(H,13,14)
InChIKeyPGPPYXIXDQLAKR-UHFFFAOYSA-N
XLogP2.28
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,8-Dimethylisoquinolin-3-ol
CID 3238513
1,6-Dimethylisoquinolin-3-ol
CID 3240963
1-Methylisoquinolin-3-ol
CID 3242031
1,6,8-Trimethylisoquinolin-3-ol
CID 3237710
1,4-dimethyl-2H-isoquinolin-3-one
CID 15252083
Indeno-indolone
CID 140446081
1-(Chloromethyl)-6-fluoro-4-methyl-3(2H)-isoquinolinone
CID 12399272
3,6-dimethyl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 15210459
5,6-dimethyl-3-(trifluoromethyl)-1H-pyridin-2-one
CID 18723546
6-butyl-3-(fluoromethyl)-1H-pyridin-2-one
CID 19012326
6-propan-2-yl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 59665145
6-(2-Fluoropropan-2-yl)pyridin-2-ol
CID 59928343

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,4-dimethyl-2H-isoquinolin-3-one?
The IUPAC name of 5-fluoro-1,4-dimethyl-2H-isoquinolin-3-one (CID 123235294) is 5-fluoro-1,4-dimethyl-2H-isoquinolin-3-one.
What is the SMILES notation for 5-fluoro-1,4-dimethyl-2H-isoquinolin-3-one?
The canonical SMILES for 5-fluoro-1,4-dimethyl-2H-isoquinolin-3-one is Cc1[nH]c(=O)c(C)c2c(F)cccc12.
What is the InChIKey of 5-fluoro-1,4-dimethyl-2H-isoquinolin-3-one?
The InChIKey is PGPPYXIXDQLAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-6-10-8(4-3-5-9(10)12)7(2)13-11(6)14/h3-5H,1-2H3,(H,13,14).
What are the key properties of 5-fluoro-1,4-dimethyl-2H-isoquinolin-3-one?
5-fluoro-1,4-dimethyl-2H-isoquinolin-3-one has a molecular weight of 191.20 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,4-dimethyl-2H-isoquinolin-3-one is sourced from PubChem (CID 123235294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).