4-ethyl-7-fluoro-2-methylisoquinolin-1-one

C12H12FNO — CID 115063450

IUPAC4-ethyl-7-fluoro-2-methylisoquinolin-1-one
SMILESCCc1cn(C)c(=O)c2cc(F)ccc12
InChIInChI=1S/C12H12FNO/c1-3-8-7-14(2)12(15)11-6-9(13)4-5-10(8)11/h4-7H,3H2,1-2H3
InChIKeyVCJNYNBECNPKMU-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.24
Rot. Bonds1

About 4-ethyl-7-fluoro-2-methylisoquinolin-1-one

4-ethyl-7-fluoro-2-methylisoquinolin-1-one (PubChem CID 115063450) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 4-ethyl-7-fluoro-2-methylisoquinolin-1-one.

Molecular Properties

Compound Name4-ethyl-7-fluoro-2-methylisoquinolin-1-one
PubChem CID115063450
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name4-ethyl-7-fluoro-2-methylisoquinolin-1-one
SMILESCCc1cn(C)c(=O)c2cc(F)ccc12
InChIInChI=1S/C12H12FNO/c1-3-8-7-14(2)12(15)11-6-9(13)4-5-10(8)11/h4-7H,3H2,1-2H3
InChIKeyVCJNYNBECNPKMU-UHFFFAOYSA-N
XLogP2.24
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-4-ethyl-2-methylisoquinolin-1-one
CID 115063556
4-bromo-6-fluoro-2-methylisoquinolin-1-one
CID 118021521
4-ethyl-6-methoxy-2-methylisoquinolin-1-one
CID 115063438
4-(3-ethylsulfonylphenyl)-7-fluoro-2-methylisoquinolin-1-one
CID 118021878
4-ethyl-2-methyl-1-oxoisoquinoline-6-carboxylic acid
CID 115063526
3-ethyl-5-fluoro-1-propan-2-ylindole
CID 155279245
4-[3-[ethyl(dihydroxy)-λ4-sulfanyl]phenyl]-7-fluoro-2-methylisoquinolin-1-one
CID 123249618
4-(5-ethylsulfonyl-2-methoxyphenyl)-7-fluoro-2-methylisoquinolin-1-one
CID 118027894
3-ethyl-6-fluoro-1-pentylindole
CID 143347565
4-(3-aminophenyl)-6-fluoro-2-methylisoquinolin-1-one
CID 134310818
N-[4-(2,4-difluorophenoxy)-3-(7-fluoro-2-methyl-1-oxoisoquinolin-4-yl)phenyl]ethanesulfonamide
CID 118027928
7-fluoro-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one
CID 12807838

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-fluoro-2-methylisoquinolin-1-one?
The IUPAC name of 4-ethyl-7-fluoro-2-methylisoquinolin-1-one (CID 115063450) is 4-ethyl-7-fluoro-2-methylisoquinolin-1-one.
What is the SMILES notation for 4-ethyl-7-fluoro-2-methylisoquinolin-1-one?
The canonical SMILES for 4-ethyl-7-fluoro-2-methylisoquinolin-1-one is CCc1cn(C)c(=O)c2cc(F)ccc12.
What is the InChIKey of 4-ethyl-7-fluoro-2-methylisoquinolin-1-one?
The InChIKey is VCJNYNBECNPKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-3-8-7-14(2)12(15)11-6-9(13)4-5-10(8)11/h4-7H,3H2,1-2H3.
What are the key properties of 4-ethyl-7-fluoro-2-methylisoquinolin-1-one?
4-ethyl-7-fluoro-2-methylisoquinolin-1-one has a molecular weight of 205.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-fluoro-2-methylisoquinolin-1-one is sourced from PubChem (CID 115063450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).