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

C11H10FNO — CID 114517589

IUPAC6-fluoro-3,5-dimethyl-2H-isoquinolin-1-one
SMILESCc1cc2c(C)c(F)ccc2c(=O)[nH]1
InChIInChI=1S/C11H10FNO/c1-6-5-9-7(2)10(12)4-3-8(9)11(14)13-6/h3-5H,1-2H3,(H,13,14)
InChIKeyMSJGDZCDVSWWHM-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.28
Rot. Bonds

About 6-fluoro-3,5-dimethyl-2H-isoquinolin-1-one

6-fluoro-3,5-dimethyl-2H-isoquinolin-1-one (PubChem CID 114517589) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is 6-fluoro-3,5-dimethyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-fluoro-3,5-dimethyl-2H-isoquinolin-1-one
PubChem CID114517589
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name6-fluoro-3,5-dimethyl-2H-isoquinolin-1-one
SMILESCc1cc2c(C)c(F)ccc2c(=O)[nH]1
InChIInChI=1S/C11H10FNO/c1-6-5-9-7(2)10(12)4-3-8(9)11(14)13-6/h3-5H,1-2H3,(H,13,14)
InChIKeyMSJGDZCDVSWWHM-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

8-fluoro-3,5-dimethyl-2H-isoquinolin-1-one
CID 114517571
3-methyl-2H-2-benzazepine-1,5-dione
CID 15271398
6-fluoro-3-hydroxy-5-methyl-1H-quinolin-2-one
CID 68640700
3-methyl-5-sulfanyl-2H-isoquinolin-1-one
CID 142195677
6-amino-3,4-dimethyl-2H-isoquinolin-1-one
CID 175921906
6,7-dimethyl-3-azabicyclo[3.2.2]nona-1(7),5,8-triene-2,4-dione
CID 126745004
4-amino-6-chloro-3-methyl-2H-isoquinolin-1-one
CID 84676451
2-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
CID 53412868
7-fluoro-3-methyl-6-(trifluoromethyl)-2H-isoquinolin-1-one
CID 140679028
4-fluoro-2-methyl-1H-indole-7-carbaldehyde
CID 143126641
ethane;3-methyl-2H-isoquinolin-1-one
CID 144810835
methyl 5,6-difluoro-1-oxo-2H-isoquinoline-3-carboxylate
CID 53429425

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,5-dimethyl-2H-isoquinolin-1-one?
The IUPAC name of 6-fluoro-3,5-dimethyl-2H-isoquinolin-1-one (CID 114517589) is 6-fluoro-3,5-dimethyl-2H-isoquinolin-1-one.
What is the SMILES notation for 6-fluoro-3,5-dimethyl-2H-isoquinolin-1-one?
The canonical SMILES for 6-fluoro-3,5-dimethyl-2H-isoquinolin-1-one is Cc1cc2c(C)c(F)ccc2c(=O)[nH]1.
What is the InChIKey of 6-fluoro-3,5-dimethyl-2H-isoquinolin-1-one?
The InChIKey is MSJGDZCDVSWWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-6-5-9-7(2)10(12)4-3-8(9)11(14)13-6/h3-5H,1-2H3,(H,13,14).
What are the key properties of 6-fluoro-3,5-dimethyl-2H-isoquinolin-1-one?
6-fluoro-3,5-dimethyl-2H-isoquinolin-1-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 6-fluoro-3,5-dimethyl-2H-isoquinolin-1-one is sourced from PubChem (CID 114517589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).