8-methoxy-2-methyl-4-propan-2-ylisoquinolin-1-one

C14H17NO2 — CID 115063489

IUPAC8-methoxy-2-methyl-4-propan-2-ylisoquinolin-1-one
SMILESCOc1cccc2c(C(C)C)cn(C)c(=O)c12
InChIInChI=1S/C14H17NO2/c1-9(2)11-8-15(3)14(16)13-10(11)6-5-7-12(13)17-4/h5-9H,1-4H3
InChIKeyZDEKVFGTTBFYAT-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.67
Rot. Bonds2

About 8-methoxy-2-methyl-4-propan-2-ylisoquinolin-1-one

8-methoxy-2-methyl-4-propan-2-ylisoquinolin-1-one (PubChem CID 115063489) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 8-methoxy-2-methyl-4-propan-2-ylisoquinolin-1-one.

Molecular Properties

Compound Name8-methoxy-2-methyl-4-propan-2-ylisoquinolin-1-one
PubChem CID115063489
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name8-methoxy-2-methyl-4-propan-2-ylisoquinolin-1-one
SMILESCOc1cccc2c(C(C)C)cn(C)c(=O)c12
InChIInChI=1S/C14H17NO2/c1-9(2)11-8-15(3)14(16)13-10(11)6-5-7-12(13)17-4/h5-9H,1-4H3
InChIKeyZDEKVFGTTBFYAT-UHFFFAOYSA-N
XLogP2.67
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-methyl-4-propan-2-ylisoquinolin-1-one?
The IUPAC name of 8-methoxy-2-methyl-4-propan-2-ylisoquinolin-1-one (CID 115063489) is 8-methoxy-2-methyl-4-propan-2-ylisoquinolin-1-one.
What is the SMILES notation for 8-methoxy-2-methyl-4-propan-2-ylisoquinolin-1-one?
The canonical SMILES for 8-methoxy-2-methyl-4-propan-2-ylisoquinolin-1-one is COc1cccc2c(C(C)C)cn(C)c(=O)c12.
What is the InChIKey of 8-methoxy-2-methyl-4-propan-2-ylisoquinolin-1-one?
The InChIKey is ZDEKVFGTTBFYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-9(2)11-8-15(3)14(16)13-10(11)6-5-7-12(13)17-4/h5-9H,1-4H3.
What are the key properties of 8-methoxy-2-methyl-4-propan-2-ylisoquinolin-1-one?
8-methoxy-2-methyl-4-propan-2-ylisoquinolin-1-one has a molecular weight of 231.29 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-4-propan-2-ylisoquinolin-1-one is sourced from PubChem (CID 115063489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).