1-(8-methoxy-3-methylisoquinolin-6-yl)propan-1-one

C14H15NO2 — CID 169409378

IUPAC1-(8-methoxy-3-methylisoquinolin-6-yl)propan-1-one
SMILESCCC(=O)c1cc(OC)c2cnc(C)cc2c1
InChIInChI=1S/C14H15NO2/c1-4-13(16)11-6-10-5-9(2)15-8-12(10)14(7-11)17-3/h5-8H,4H2,1-3H3
InChIKeyIAHJKOIFEJSXKI-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.14
Rot. Bonds3

About 1-(8-methoxy-3-methylisoquinolin-6-yl)propan-1-one

1-(8-methoxy-3-methylisoquinolin-6-yl)propan-1-one (PubChem CID 169409378) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(8-methoxy-3-methylisoquinolin-6-yl)propan-1-one.

Molecular Properties

Compound Name1-(8-methoxy-3-methylisoquinolin-6-yl)propan-1-one
PubChem CID169409378
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name1-(8-methoxy-3-methylisoquinolin-6-yl)propan-1-one
SMILESCCC(=O)c1cc(OC)c2cnc(C)cc2c1
InChIInChI=1S/C14H15NO2/c1-4-13(16)11-6-10-5-9(2)15-8-12(10)14(7-11)17-3/h5-8H,4H2,1-3H3
InChIKeyIAHJKOIFEJSXKI-UHFFFAOYSA-N
XLogP3.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dimethoxy-3-methylisoquinoline
CID 134913416
1-(3-hydroxy-5-methoxy-4-methylphenyl)propan-1-one
CID 162821469
ethyl 3,5-dimethoxy-4-[(5-methylpyrazin-2-yl)methoxy]benzoate
CID 141232269
1-(4-ethoxy-3-methoxy-5-nitrophenyl)propan-1-one
CID 112720297
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
1-[3-methoxy-5-methyl-4-(methylamino)phenyl]propan-1-one
CID 129231374
ethyl 7-bromo-4-methoxynaphthalene-2-carboxylate
CID 90202516
ethyl 3-amino-8-methoxyquinoline-6-carboxylate
CID 156872720
ethyl 3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanoate
CID 106660444
1-(3,5-difluoro-4-methoxyphenyl)propan-1-one
CID 2737020
N-(5-methoxy-2-methyl-4-pyridinyl)acetamide
CID 59938106
1-(3-chloro-5-ethoxy-4-methoxyphenyl)propan-1-one
CID 83952614

Frequently Asked Questions

What is the IUPAC name of 1-(8-methoxy-3-methylisoquinolin-6-yl)propan-1-one?
The IUPAC name of 1-(8-methoxy-3-methylisoquinolin-6-yl)propan-1-one (CID 169409378) is 1-(8-methoxy-3-methylisoquinolin-6-yl)propan-1-one.
What is the SMILES notation for 1-(8-methoxy-3-methylisoquinolin-6-yl)propan-1-one?
The canonical SMILES for 1-(8-methoxy-3-methylisoquinolin-6-yl)propan-1-one is CCC(=O)c1cc(OC)c2cnc(C)cc2c1.
What is the InChIKey of 1-(8-methoxy-3-methylisoquinolin-6-yl)propan-1-one?
The InChIKey is IAHJKOIFEJSXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-4-13(16)11-6-10-5-9(2)15-8-12(10)14(7-11)17-3/h5-8H,4H2,1-3H3.
What are the key properties of 1-(8-methoxy-3-methylisoquinolin-6-yl)propan-1-one?
1-(8-methoxy-3-methylisoquinolin-6-yl)propan-1-one has a molecular weight of 229.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methoxy-3-methylisoquinolin-6-yl)propan-1-one is sourced from PubChem (CID 169409378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).