7-hydroxy-4-methyl-2-propan-2-ylisoquinolin-1-one

C13H15NO2 — CID 115030028

IUPAC7-hydroxy-4-methyl-2-propan-2-ylisoquinolin-1-one
SMILESCc1cn(C(C)C)c(=O)c2cc(O)ccc12
InChIInChI=1S/C13H15NO2/c1-8(2)14-7-9(3)11-5-4-10(15)6-12(11)13(14)16/h4-8,15H,1-3H3
InChIKeyRXFIMOYXULIUHP-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.60
Rot. Bonds1

About 7-hydroxy-4-methyl-2-propan-2-ylisoquinolin-1-one

7-hydroxy-4-methyl-2-propan-2-ylisoquinolin-1-one (PubChem CID 115030028) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 7-hydroxy-4-methyl-2-propan-2-ylisoquinolin-1-one.

Molecular Properties

Compound Name7-hydroxy-4-methyl-2-propan-2-ylisoquinolin-1-one
PubChem CID115030028
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name7-hydroxy-4-methyl-2-propan-2-ylisoquinolin-1-one
SMILESCc1cn(C(C)C)c(=O)c2cc(O)ccc12
InChIInChI=1S/C13H15NO2/c1-8(2)14-7-9(3)11-5-4-10(15)6-12(11)13(14)16/h4-8,15H,1-3H3
InChIKeyRXFIMOYXULIUHP-UHFFFAOYSA-N
XLogP2.60
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-methyl-2-propan-2-ylisoquinolin-1-one?
The IUPAC name of 7-hydroxy-4-methyl-2-propan-2-ylisoquinolin-1-one (CID 115030028) is 7-hydroxy-4-methyl-2-propan-2-ylisoquinolin-1-one.
What is the SMILES notation for 7-hydroxy-4-methyl-2-propan-2-ylisoquinolin-1-one?
The canonical SMILES for 7-hydroxy-4-methyl-2-propan-2-ylisoquinolin-1-one is Cc1cn(C(C)C)c(=O)c2cc(O)ccc12.
What is the InChIKey of 7-hydroxy-4-methyl-2-propan-2-ylisoquinolin-1-one?
The InChIKey is RXFIMOYXULIUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-8(2)14-7-9(3)11-5-4-10(15)6-12(11)13(14)16/h4-8,15H,1-3H3.
What are the key properties of 7-hydroxy-4-methyl-2-propan-2-ylisoquinolin-1-one?
7-hydroxy-4-methyl-2-propan-2-ylisoquinolin-1-one has a molecular weight of 217.27 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-methyl-2-propan-2-ylisoquinolin-1-one is sourced from PubChem (CID 115030028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).