8-methyl-2-(2-methylbutan-2-yl)isoquinolin-1-one

C15H19NO — CID 131976790

IUPAC8-methyl-2-(2-methylbutan-2-yl)isoquinolin-1-one
SMILESCCC(C)(C)n1ccc2cccc(C)c2c1=O
InChIInChI=1S/C15H19NO/c1-5-15(3,4)16-10-9-12-8-6-7-11(2)13(12)14(16)17/h6-10H,5H2,1-4H3
InChIKeyVXNVSTCBQAUZIF-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.46
Rot. Bonds2

About 8-methyl-2-(2-methylbutan-2-yl)isoquinolin-1-one

8-methyl-2-(2-methylbutan-2-yl)isoquinolin-1-one (PubChem CID 131976790) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 8-methyl-2-(2-methylbutan-2-yl)isoquinolin-1-one.

Molecular Properties

Compound Name8-methyl-2-(2-methylbutan-2-yl)isoquinolin-1-one
PubChem CID131976790
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name8-methyl-2-(2-methylbutan-2-yl)isoquinolin-1-one
SMILESCCC(C)(C)n1ccc2cccc(C)c2c1=O
InChIInChI=1S/C15H19NO/c1-5-15(3,4)16-10-9-12-8-6-7-11(2)13(12)14(16)17/h6-10H,5H2,1-4H3
InChIKeyVXNVSTCBQAUZIF-UHFFFAOYSA-N
XLogP3.46
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(2-methylbutan-2-yl)isoquinolin-1-one?
The IUPAC name of 8-methyl-2-(2-methylbutan-2-yl)isoquinolin-1-one (CID 131976790) is 8-methyl-2-(2-methylbutan-2-yl)isoquinolin-1-one.
What is the SMILES notation for 8-methyl-2-(2-methylbutan-2-yl)isoquinolin-1-one?
The canonical SMILES for 8-methyl-2-(2-methylbutan-2-yl)isoquinolin-1-one is CCC(C)(C)n1ccc2cccc(C)c2c1=O.
What is the InChIKey of 8-methyl-2-(2-methylbutan-2-yl)isoquinolin-1-one?
The InChIKey is VXNVSTCBQAUZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-5-15(3,4)16-10-9-12-8-6-7-11(2)13(12)14(16)17/h6-10H,5H2,1-4H3.
What are the key properties of 8-methyl-2-(2-methylbutan-2-yl)isoquinolin-1-one?
8-methyl-2-(2-methylbutan-2-yl)isoquinolin-1-one has a molecular weight of 229.32 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(2-methylbutan-2-yl)isoquinolin-1-one is sourced from PubChem (CID 131976790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).