2-ethyl-5-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one

C17H22N2O2 — CID 43985507

IUPAC2-ethyl-5-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one
SMILESCCn1ccc2c(OCCN3CCCC3)cccc2c1=O
InChIInChI=1S/C17H22N2O2/c1-2-19-11-8-14-15(17(19)20)6-5-7-16(14)21-13-12-18-9-3-4-10-18/h5-8,11H,2-4,9-10,12-13H2,1H3
InChIKeyBCPWVJCHGAHKRK-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.50
Rot. Bonds5

About 2-ethyl-5-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one

2-ethyl-5-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one (PubChem CID 43985507) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-ethyl-5-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one.

Molecular Properties

Compound Name2-ethyl-5-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one
PubChem CID43985507
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-ethyl-5-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one
SMILESCCn1ccc2c(OCCN3CCCC3)cccc2c1=O
InChIInChI=1S/C17H22N2O2/c1-2-19-11-8-14-15(17(19)20)6-5-7-16(14)21-13-12-18-9-3-4-10-18/h5-8,11H,2-4,9-10,12-13H2,1H3
InChIKeyBCPWVJCHGAHKRK-UHFFFAOYSA-N
XLogP2.50
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethyl)-5-(2-piperidin-1-ylethoxy)isoquinolin-1-one
CID 43985596
2-methyl-5-(2-morpholin-4-ylethoxy)isoquinolin-1-one
CID 20645387
5-(2-ethoxyethoxy)-2-(2-ethoxyethyl)isoquinolin-1-one
CID 43985622
5-butoxy-2-(2-methoxyethyl)isoquinolin-1-one
CID 43985585
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide
CID 7293155
2-ethyl-5-(pyridin-2-ylmethoxy)isoquinolin-1-one
CID 18575800
1-[2-(4-methylnaphthalen-1-yl)oxyethyl]piperidine
CID 71054217
4-ethoxy-1-(2-pyrrolidin-1-ylethyl)indole
CID 83173234
5-prop-2-enoxy-2-propylisoquinolin-1-one
CID 43985528
1-(2-naphthalen-1-yloxyethyl)piperidin-4-one
CID 39368285
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-prop-2-enylacetamide
CID 18575801
tert-butyl 4-(2-pyrrolidin-1-ylethoxy)indole-1-carboxylate
CID 23544628

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one?
The IUPAC name of 2-ethyl-5-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one (CID 43985507) is 2-ethyl-5-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one.
What is the SMILES notation for 2-ethyl-5-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one?
The canonical SMILES for 2-ethyl-5-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one is CCn1ccc2c(OCCN3CCCC3)cccc2c1=O.
What is the InChIKey of 2-ethyl-5-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one?
The InChIKey is BCPWVJCHGAHKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-19-11-8-14-15(17(19)20)6-5-7-16(14)21-13-12-18-9-3-4-10-18/h5-8,11H,2-4,9-10,12-13H2,1H3.
What are the key properties of 2-ethyl-5-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one?
2-ethyl-5-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one has a molecular weight of 286.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-pyrrolidin-1-ylethoxy)isoquinolin-1-one is sourced from PubChem (CID 43985507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).