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

C11H10FNO — CID 114517571

IUPAC8-fluoro-3,5-dimethyl-2H-isoquinolin-1-one
SMILESCc1cc2c(C)ccc(F)c2c(=O)[nH]1
InChIInChI=1S/C11H10FNO/c1-6-3-4-9(12)10-8(6)5-7(2)13-11(10)14/h3-5H,1-2H3,(H,13,14)
InChIKeySDUXRUKHAAEYCX-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.28
Rot. Bonds

About 8-fluoro-3,5-dimethyl-2H-isoquinolin-1-one

8-fluoro-3,5-dimethyl-2H-isoquinolin-1-one (PubChem CID 114517571) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is 8-fluoro-3,5-dimethyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name8-fluoro-3,5-dimethyl-2H-isoquinolin-1-one
PubChem CID114517571
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name8-fluoro-3,5-dimethyl-2H-isoquinolin-1-one
SMILESCc1cc2c(C)ccc(F)c2c(=O)[nH]1
InChIInChI=1S/C11H10FNO/c1-6-3-4-9(12)10-8(6)5-7(2)13-11(10)14/h3-5H,1-2H3,(H,13,14)
InChIKeySDUXRUKHAAEYCX-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-5-methyl-2H-isoquinolin-1-one
CID 114517488
6-fluoro-3,5-dimethyl-2H-isoquinolin-1-one
CID 114517589
4,8-difluoro-3-methyl-2H-isoquinolin-1-one
CID 175981431
5-fluoro-8-methyl-1-oxo-2H-isoquinoline-3-carboxylic acid
CID 114517714
4-amino-7-methyl-2,6-dihydropyrido[3,4-d]pyridazine-1,5-dione
CID 135472989
4-fluoro-2-methyl-1H-indole-7-carbaldehyde
CID 143126641
4,8-difluoro-3-iodo-2H-isoquinolin-1-one
CID 170115692
8-fluoro-3-[3-[4-(2-isocyanophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-2H-isoquinolin-1-one
CID 167326915
8-chloro-5-methyl-1-oxo-2H-isoquinoline-3-carboxylic acid
CID 114517698
5-chloro-6-fluoro-3-methyl-1H-quinolin-2-one
CID 158534354
3-methyl-5-sulfanyl-2H-isoquinolin-1-one
CID 142195677
3-isocyano-4,6-dimethyl-1H-pyridin-2-one
CID 140776702

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3,5-dimethyl-2H-isoquinolin-1-one?
The IUPAC name of 8-fluoro-3,5-dimethyl-2H-isoquinolin-1-one (CID 114517571) is 8-fluoro-3,5-dimethyl-2H-isoquinolin-1-one.
What is the SMILES notation for 8-fluoro-3,5-dimethyl-2H-isoquinolin-1-one?
The canonical SMILES for 8-fluoro-3,5-dimethyl-2H-isoquinolin-1-one is Cc1cc2c(C)ccc(F)c2c(=O)[nH]1.
What is the InChIKey of 8-fluoro-3,5-dimethyl-2H-isoquinolin-1-one?
The InChIKey is SDUXRUKHAAEYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-6-3-4-9(12)10-8(6)5-7(2)13-11(10)14/h3-5H,1-2H3,(H,13,14).
What are the key properties of 8-fluoro-3,5-dimethyl-2H-isoquinolin-1-one?
8-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 8-fluoro-3,5-dimethyl-2H-isoquinolin-1-one is sourced from PubChem (CID 114517571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).