4-ethyl-6-methoxy-2-methylisoquinolin-1-one

C13H15NO2 — CID 115063438

IUPAC4-ethyl-6-methoxy-2-methylisoquinolin-1-one
SMILESCCc1cn(C)c(=O)c2ccc(OC)cc12
InChIInChI=1S/C13H15NO2/c1-4-9-8-14(2)13(15)11-6-5-10(16-3)7-12(9)11/h5-8H,4H2,1-3H3
InChIKeyFYAMXBJDPXCXAJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.11
Rot. Bonds2

About 4-ethyl-6-methoxy-2-methylisoquinolin-1-one

4-ethyl-6-methoxy-2-methylisoquinolin-1-one (PubChem CID 115063438) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-ethyl-6-methoxy-2-methylisoquinolin-1-one.

Molecular Properties

Compound Name4-ethyl-6-methoxy-2-methylisoquinolin-1-one
PubChem CID115063438
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name4-ethyl-6-methoxy-2-methylisoquinolin-1-one
SMILESCCc1cn(C)c(=O)c2ccc(OC)cc12
InChIInChI=1S/C13H15NO2/c1-4-9-8-14(2)13(15)11-6-5-10(16-3)7-12(9)11/h5-8H,4H2,1-3H3
InChIKeyFYAMXBJDPXCXAJ-UHFFFAOYSA-N
XLogP2.11
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-2,4-dimethylisoquinolin-1-one
CID 115022865
4-ethyl-2-methyl-1-oxoisoquinoline-6-carboxylic acid
CID 115063526
7-amino-4-ethyl-2-methylisoquinolin-1-one
CID 115063556
methyl 4-ethyl-2-methyl-1-oxoisoquinoline-7-carboxylate
CID 170901635
2-ethyl-7-methoxy-4-methylisoquinolin-1-one
CID 115030040
3-ethyl-6-methoxyindole-1-carboxamide
CID 173231943
6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one
CID 12807853
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
3-ethyl-7-methoxy-1-methylquinolin-2-one
CID 143543946
4-ethyl-5-hydroxy-2-methylisoquinolin-1-one
CID 115063411
N-ethyl-2-(5-methoxy-1-methylindol-3-yl)ethanamine
CID 96673433
6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylisoquinolin-1-one
CID 11782327

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methoxy-2-methylisoquinolin-1-one?
The IUPAC name of 4-ethyl-6-methoxy-2-methylisoquinolin-1-one (CID 115063438) is 4-ethyl-6-methoxy-2-methylisoquinolin-1-one.
What is the SMILES notation for 4-ethyl-6-methoxy-2-methylisoquinolin-1-one?
The canonical SMILES for 4-ethyl-6-methoxy-2-methylisoquinolin-1-one is CCc1cn(C)c(=O)c2ccc(OC)cc12.
What is the InChIKey of 4-ethyl-6-methoxy-2-methylisoquinolin-1-one?
The InChIKey is FYAMXBJDPXCXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-4-9-8-14(2)13(15)11-6-5-10(16-3)7-12(9)11/h5-8H,4H2,1-3H3.
What are the key properties of 4-ethyl-6-methoxy-2-methylisoquinolin-1-one?
4-ethyl-6-methoxy-2-methylisoquinolin-1-one has a molecular weight of 217.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methoxy-2-methylisoquinolin-1-one is sourced from PubChem (CID 115063438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).