8-methoxy-4-propan-2-yl-2H-isoquinolin-1-one

C13H15NO2 — CID 115063386

IUPAC8-methoxy-4-propan-2-yl-2H-isoquinolin-1-one
SMILESCOc1cccc2c(C(C)C)c[nH]c(=O)c12
InChIInChI=1S/C13H15NO2/c1-8(2)10-7-14-13(15)12-9(10)5-4-6-11(12)16-3/h4-8H,1-3H3,(H,14,15)
InChIKeyMKGZSZIDYIYQOJ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.66
Rot. Bonds2

About 8-methoxy-4-propan-2-yl-2H-isoquinolin-1-one

8-methoxy-4-propan-2-yl-2H-isoquinolin-1-one (PubChem CID 115063386) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 8-methoxy-4-propan-2-yl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name8-methoxy-4-propan-2-yl-2H-isoquinolin-1-one
PubChem CID115063386
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name8-methoxy-4-propan-2-yl-2H-isoquinolin-1-one
SMILESCOc1cccc2c(C(C)C)c[nH]c(=O)c12
InChIInChI=1S/C13H15NO2/c1-8(2)10-7-14-13(15)12-9(10)5-4-6-11(12)16-3/h4-8H,1-3H3,(H,14,15)
InChIKeyMKGZSZIDYIYQOJ-UHFFFAOYSA-N
XLogP2.66
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-methyl-4-propan-2-yl-2H-isoquinolin-1-one
CID 115063345
8-methoxy-2-methyl-4-propan-2-ylisoquinolin-1-one
CID 115063489
7-methoxy-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole
CID 144940831
5-methoxy-1-oxo-2H-isoquinoline-4-carboxylic acid
CID 84684368
5-methoxy-2-methyl-4-propan-2-ylisoquinolin-1-one
CID 115063414
ethane;4-methoxy-2H-isoquinolin-1-one
CID 90873525
(1S)-1-(4-methoxy-1H-indol-3-yl)ethanol
CID 83173825
1-(4-methoxy-1H-indol-3-yl)ethanol
CID 117194998
4,5-dimethoxy-1-methyl-2H-isoquinolin-3-one
CID 123546293
9-methoxy-2,4-dihydro-1H-thieno[2,3-c]isoquinolin-5-one
CID 70252151
5-methoxy-3H-quinazolin-4-one;hydrochloride
CID 136504101
7-chloro-4-methoxy-3-propan-2-yl-1H-indole
CID 131970997

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-propan-2-yl-2H-isoquinolin-1-one?
The IUPAC name of 8-methoxy-4-propan-2-yl-2H-isoquinolin-1-one (CID 115063386) is 8-methoxy-4-propan-2-yl-2H-isoquinolin-1-one.
What is the SMILES notation for 8-methoxy-4-propan-2-yl-2H-isoquinolin-1-one?
The canonical SMILES for 8-methoxy-4-propan-2-yl-2H-isoquinolin-1-one is COc1cccc2c(C(C)C)c[nH]c(=O)c12.
What is the InChIKey of 8-methoxy-4-propan-2-yl-2H-isoquinolin-1-one?
The InChIKey is MKGZSZIDYIYQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8(2)10-7-14-13(15)12-9(10)5-4-6-11(12)16-3/h4-8H,1-3H3,(H,14,15).
What are the key properties of 8-methoxy-4-propan-2-yl-2H-isoquinolin-1-one?
8-methoxy-4-propan-2-yl-2H-isoquinolin-1-one has a molecular weight of 217.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-propan-2-yl-2H-isoquinolin-1-one is sourced from PubChem (CID 115063386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).