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

C13H15NO2 — CID 115030040

IUPAC2-ethyl-7-methoxy-4-methylisoquinolin-1-one
SMILESCCn1cc(C)c2ccc(OC)cc2c1=O
InChIInChI=1S/C13H15NO2/c1-4-14-8-9(2)11-6-5-10(16-3)7-12(11)13(14)15/h5-8H,4H2,1-3H3
InChIKeyPPGDKDZCRKZQNW-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.34
Rot. Bonds2

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

2-ethyl-7-methoxy-4-methylisoquinolin-1-one (PubChem CID 115030040) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-ethyl-7-methoxy-4-methylisoquinolin-1-one.

Molecular Properties

Compound Name2-ethyl-7-methoxy-4-methylisoquinolin-1-one
PubChem CID115030040
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-ethyl-7-methoxy-4-methylisoquinolin-1-one
SMILESCCn1cc(C)c2ccc(OC)cc2c1=O
InChIInChI=1S/C13H15NO2/c1-4-14-8-9(2)11-6-5-10(16-3)7-12(11)13(14)15/h5-8H,4H2,1-3H3
InChIKeyPPGDKDZCRKZQNW-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
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-6-methoxy-2-methylisoquinolin-1-one
CID 115063438
2-(6-methoxy-3-methylindol-1-yl)ethanamine
CID 82491960
2-ethyl-4-methoxy-7-propan-2-ylisoquinolin-1-one
CID 178177819
N-(2,4-dimethoxyphenyl)-2-ethyl-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 15992906
ethyl 2-[2-(diethylamino)ethyl]-7-methoxy-1-oxoisoquinoline-4-carboxylate
CID 12812987
1-ethyl-5-methoxyindole-3-carbaldehyde
CID 3162229
4-bromo-2-ethyl-6,7-dimethoxyisoquinolin-1-one
CID 68853897
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
(4-methoxyphenyl) 2-ethyl-1-oxoisoquinoline-4-carboxylate
CID 53092798
(1-ethyl-6-methoxyindol-3-yl)methanamine
CID 117122317
6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one
CID 127034647

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methoxy-4-methylisoquinolin-1-one?
The IUPAC name of 2-ethyl-7-methoxy-4-methylisoquinolin-1-one (CID 115030040) is 2-ethyl-7-methoxy-4-methylisoquinolin-1-one.
What is the SMILES notation for 2-ethyl-7-methoxy-4-methylisoquinolin-1-one?
The canonical SMILES for 2-ethyl-7-methoxy-4-methylisoquinolin-1-one is CCn1cc(C)c2ccc(OC)cc2c1=O.
What is the InChIKey of 2-ethyl-7-methoxy-4-methylisoquinolin-1-one?
The InChIKey is PPGDKDZCRKZQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-4-14-8-9(2)11-6-5-10(16-3)7-12(11)13(14)15/h5-8H,4H2,1-3H3.
What are the key properties of 2-ethyl-7-methoxy-4-methylisoquinolin-1-one?
2-ethyl-7-methoxy-4-methylisoquinolin-1-one has a molecular weight of 217.27 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methoxy-4-methylisoquinolin-1-one is sourced from PubChem (CID 115030040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).