4-ethyl-5-piperidin-4-yloxy-2H-isoquinolin-1-one

C16H20N2O2 — CID 10265259

IUPAC4-ethyl-5-piperidin-4-yloxy-2H-isoquinolin-1-one
SMILESCCc1c[nH]c(=O)c2cccc(OC3CCNCC3)c12
InChIInChI=1S/C16H20N2O2/c1-2-11-10-18-16(19)13-4-3-5-14(15(11)13)20-12-6-8-17-9-7-12/h3-5,10,12,17H,2,6-9H2,1H3,(H,18,19)
InChIKeyKDBWXHBUPVYORS-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.22
Rot. Bonds3

About 4-ethyl-5-piperidin-4-yloxy-2H-isoquinolin-1-one

4-ethyl-5-piperidin-4-yloxy-2H-isoquinolin-1-one (PubChem CID 10265259) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-ethyl-5-piperidin-4-yloxy-2H-isoquinolin-1-one.

Molecular Properties

Compound Name4-ethyl-5-piperidin-4-yloxy-2H-isoquinolin-1-one
PubChem CID10265259
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-ethyl-5-piperidin-4-yloxy-2H-isoquinolin-1-one
SMILESCCc1c[nH]c(=O)c2cccc(OC3CCNCC3)c12
InChIInChI=1S/C16H20N2O2/c1-2-11-10-18-16(19)13-4-3-5-14(15(11)13)20-12-6-8-17-9-7-12/h3-5,10,12,17H,2,6-9H2,1H3,(H,18,19)
InChIKeyKDBWXHBUPVYORS-UHFFFAOYSA-N
XLogP2.22
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-piperidin-4-yloxy-2H-isoquinolin-1-one?
The IUPAC name of 4-ethyl-5-piperidin-4-yloxy-2H-isoquinolin-1-one (CID 10265259) is 4-ethyl-5-piperidin-4-yloxy-2H-isoquinolin-1-one.
What is the SMILES notation for 4-ethyl-5-piperidin-4-yloxy-2H-isoquinolin-1-one?
The canonical SMILES for 4-ethyl-5-piperidin-4-yloxy-2H-isoquinolin-1-one is CCc1c[nH]c(=O)c2cccc(OC3CCNCC3)c12.
What is the InChIKey of 4-ethyl-5-piperidin-4-yloxy-2H-isoquinolin-1-one?
The InChIKey is KDBWXHBUPVYORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-11-10-18-16(19)13-4-3-5-14(15(11)13)20-12-6-8-17-9-7-12/h3-5,10,12,17H,2,6-9H2,1H3,(H,18,19).
What are the key properties of 4-ethyl-5-piperidin-4-yloxy-2H-isoquinolin-1-one?
4-ethyl-5-piperidin-4-yloxy-2H-isoquinolin-1-one has a molecular weight of 272.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-piperidin-4-yloxy-2H-isoquinolin-1-one is sourced from PubChem (CID 10265259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).