5-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)isoquinolin-1-one

C17H20N2O3 — CID 2145341

IUPAC5-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)isoquinolin-1-one
SMILESCOc1cccc2c(=O)n(CC(=O)N3CCCCC3)ccc12
InChIInChI=1S/C17H20N2O3/c1-22-15-7-5-6-14-13(15)8-11-19(17(14)21)12-16(20)18-9-3-2-4-10-18/h5-8,11H,2-4,9-10,12H2,1H3
InChIKeySZLAVMJYYUQKHW-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.02
Rot. Bonds3

About 5-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)isoquinolin-1-one

5-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)isoquinolin-1-one (PubChem CID 2145341) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)isoquinolin-1-one.

Molecular Properties

Compound Name5-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)isoquinolin-1-one
PubChem CID2145341
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name5-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)isoquinolin-1-one
SMILESCOc1cccc2c(=O)n(CC(=O)N3CCCCC3)ccc12
InChIInChI=1S/C17H20N2O3/c1-22-15-7-5-6-14-13(15)8-11-19(17(14)21)12-16(20)18-9-3-2-4-10-18/h5-8,11H,2-4,9-10,12H2,1H3
InChIKeySZLAVMJYYUQKHW-UHFFFAOYSA-N
XLogP2.02
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)isoquinolin-1-one?
The IUPAC name of 5-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)isoquinolin-1-one (CID 2145341) is 5-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)isoquinolin-1-one.
What is the SMILES notation for 5-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)isoquinolin-1-one?
The canonical SMILES for 5-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)isoquinolin-1-one is COc1cccc2c(=O)n(CC(=O)N3CCCCC3)ccc12.
What is the InChIKey of 5-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)isoquinolin-1-one?
The InChIKey is SZLAVMJYYUQKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-22-15-7-5-6-14-13(15)8-11-19(17(14)21)12-16(20)18-9-3-2-4-10-18/h5-8,11H,2-4,9-10,12H2,1H3.
What are the key properties of 5-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)isoquinolin-1-one?
5-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)isoquinolin-1-one has a molecular weight of 300.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-oxo-2-piperidin-1-ylethyl)isoquinolin-1-one is sourced from PubChem (CID 2145341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).