2-ethyl-5-(pyridin-2-ylmethoxy)isoquinolin-1-one

C17H16N2O2 — CID 18575800

IUPAC2-ethyl-5-(pyridin-2-ylmethoxy)isoquinolin-1-one
SMILESCCn1ccc2c(OCc3ccccn3)cccc2c1=O
InChIInChI=1S/C17H16N2O2/c1-2-19-11-9-14-15(17(19)20)7-5-8-16(14)21-12-13-6-3-4-10-18-13/h3-11H,2,12H2,1H3
InChIKeyYDNYJLMFQXFUCN-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.00
Rot. Bonds4

About 2-ethyl-5-(pyridin-2-ylmethoxy)isoquinolin-1-one

2-ethyl-5-(pyridin-2-ylmethoxy)isoquinolin-1-one (PubChem CID 18575800) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-ethyl-5-(pyridin-2-ylmethoxy)isoquinolin-1-one.

Molecular Properties

Compound Name2-ethyl-5-(pyridin-2-ylmethoxy)isoquinolin-1-one
PubChem CID18575800
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-ethyl-5-(pyridin-2-ylmethoxy)isoquinolin-1-one
SMILESCCn1ccc2c(OCc3ccccn3)cccc2c1=O
InChIInChI=1S/C17H16N2O2/c1-2-19-11-9-14-15(17(19)20)7-5-8-16(14)21-12-13-6-3-4-10-18-13/h3-11H,2,12H2,1H3
InChIKeyYDNYJLMFQXFUCN-UHFFFAOYSA-N
XLogP3.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(pyridin-2-ylmethoxy)naphthalen-1-amine
CID 82037861
2-ethyl-5-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one
CID 43985507
4-ethoxy-1-(pyridin-2-ylmethyl)indole
CID 83174156
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-prop-2-enylacetamide
CID 18575801
5-prop-2-enoxy-2-propylisoquinolin-1-one
CID 43985528
5-(2-ethoxyethoxy)-2-(2-ethoxyethyl)isoquinolin-1-one
CID 43985622
N,N-dimethyl-2-(pyridin-2-ylmethoxy)aniline
CID 22438672
[3-ethoxy-2-(pyridin-2-ylmethoxy)phenyl]methanamine
CID 43366673
5-butoxy-2-(2-methoxyethyl)isoquinolin-1-one
CID 43985585
N-(5-chloro-2-methoxyphenyl)-2-(2-ethyl-1-oxoisoquinolin-5-yl)oxyacetamide
CID 7293166
1-ethyl-4-phenylmethoxyindole
CID 24776902
2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]pyridine
CID 43366814

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(pyridin-2-ylmethoxy)isoquinolin-1-one?
The IUPAC name of 2-ethyl-5-(pyridin-2-ylmethoxy)isoquinolin-1-one (CID 18575800) is 2-ethyl-5-(pyridin-2-ylmethoxy)isoquinolin-1-one.
What is the SMILES notation for 2-ethyl-5-(pyridin-2-ylmethoxy)isoquinolin-1-one?
The canonical SMILES for 2-ethyl-5-(pyridin-2-ylmethoxy)isoquinolin-1-one is CCn1ccc2c(OCc3ccccn3)cccc2c1=O.
What is the InChIKey of 2-ethyl-5-(pyridin-2-ylmethoxy)isoquinolin-1-one?
The InChIKey is YDNYJLMFQXFUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-19-11-9-14-15(17(19)20)7-5-8-16(14)21-12-13-6-3-4-10-18-13/h3-11H,2,12H2,1H3.
What are the key properties of 2-ethyl-5-(pyridin-2-ylmethoxy)isoquinolin-1-one?
2-ethyl-5-(pyridin-2-ylmethoxy)isoquinolin-1-one has a molecular weight of 280.33 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(pyridin-2-ylmethoxy)isoquinolin-1-one is sourced from PubChem (CID 18575800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).