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

C13H15NO — CID 115063345

IUPAC8-methyl-4-propan-2-yl-2H-isoquinolin-1-one
SMILESCc1cccc2c(C(C)C)c[nH]c(=O)c12
InChIInChI=1S/C13H15NO/c1-8(2)11-7-14-13(15)12-9(3)5-4-6-10(11)12/h4-8H,1-3H3,(H,14,15)
InChIKeyKWMYPVZURNYIOW-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.96
Rot. Bonds1

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

8-methyl-4-propan-2-yl-2H-isoquinolin-1-one (PubChem CID 115063345) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 8-methyl-4-propan-2-yl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name8-methyl-4-propan-2-yl-2H-isoquinolin-1-one
PubChem CID115063345
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name8-methyl-4-propan-2-yl-2H-isoquinolin-1-one
SMILESCc1cccc2c(C(C)C)c[nH]c(=O)c12
InChIInChI=1S/C13H15NO/c1-8(2)11-7-14-13(15)12-9(3)5-4-6-10(11)12/h4-8H,1-3H3,(H,14,15)
InChIKeyKWMYPVZURNYIOW-UHFFFAOYSA-N
XLogP2.96
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-methoxy-4-propan-2-yl-2H-isoquinolin-1-one
CID 115063386
4-methyl-3-propan-2-yl-1H-indole
CID 123915873
7-methoxy-3-propan-2-yl-1H-indole;7-methyl-3-propan-2-yl-1H-indole
CID 144940831
3-propan-2-yl-1H-indole
CID 12534824
5-methyl-1,2,3,4-tetra(propan-2-yl)naphthalene
CID 173282541
4-propan-2-yl-2H-2,6-naphthyridin-1-one
CID 159787624
7-bromo-3-propan-2-yl-1H-indole
CID 106985591
7-fluoro-3-propan-2-yl-1H-indole
CID 86276645
7-methyl-3-(2-methylpentan-3-yl)-1H-indole
CID 106985199
4-methyl-2H-isoquinolin-1-one
CID 12695299
1-(4-methyl-1H-indol-3-yl)ethanamine
CID 82598720
methane;3-propan-2-yl-1H-pyridin-2-one
CID 159076813

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-propan-2-yl-2H-isoquinolin-1-one?
The IUPAC name of 8-methyl-4-propan-2-yl-2H-isoquinolin-1-one (CID 115063345) is 8-methyl-4-propan-2-yl-2H-isoquinolin-1-one.
What is the SMILES notation for 8-methyl-4-propan-2-yl-2H-isoquinolin-1-one?
The canonical SMILES for 8-methyl-4-propan-2-yl-2H-isoquinolin-1-one is Cc1cccc2c(C(C)C)c[nH]c(=O)c12.
What is the InChIKey of 8-methyl-4-propan-2-yl-2H-isoquinolin-1-one?
The InChIKey is KWMYPVZURNYIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-8(2)11-7-14-13(15)12-9(3)5-4-6-10(11)12/h4-8H,1-3H3,(H,14,15).
What are the key properties of 8-methyl-4-propan-2-yl-2H-isoquinolin-1-one?
8-methyl-4-propan-2-yl-2H-isoquinolin-1-one has a molecular weight of 201.27 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-propan-2-yl-2H-isoquinolin-1-one is sourced from PubChem (CID 115063345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).