2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone

C17H19NO2 — CID 103168190

IUPAC2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone
SMILESCCOC1CC(CC(=O)c2cccc3ccncc23)C1
InChIInChI=1S/C17H19NO2/c1-2-20-14-8-12(9-14)10-17(19)15-5-3-4-13-6-7-18-11-16(13)15/h3-7,11-12,14H,2,8-10H2,1H3
InChIKeyLJIYIWRAOZOMFF-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.62
Rot. Bonds5

About 2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone

2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone (PubChem CID 103168190) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone
PubChem CID103168190
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone
SMILESCCOC1CC(CC(=O)c2cccc3ccncc23)C1
InChIInChI=1S/C17H19NO2/c1-2-20-14-8-12(9-14)10-17(19)15-5-3-4-13-6-7-18-11-16(13)15/h3-7,11-12,14H,2,8-10H2,1H3
InChIKeyLJIYIWRAOZOMFF-UHFFFAOYSA-N
XLogP3.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-2-(3-ethoxycyclobutyl)ethanone
CID 103167728
2-(3-ethoxycyclobutyl)-1-(1-methylindol-3-yl)ethanone
CID 103162400
1-isoquinolin-8-yl-3,3-dimethylbutan-1-one
CID 103133892
3-amino-1-isoquinolin-8-ylpropan-1-one
CID 103132952
3-(diethylamino)-1-isoquinolin-8-ylpropan-1-one
CID 103143337
1-(3-ethoxycyclobutyl)-3-pyridin-4-ylpropan-2-one
CID 103164289
2-tert-butylsulfanyl-1-isoquinolin-8-ylethanone
CID 103143300
isoquinolin-8-yl-(4-propylcyclohexyl)methanone
CID 103143308
2-(4-aminopiperidin-1-yl)-1-isoquinolin-8-ylethanone
CID 103133386
2-(3-ethoxycyclobutyl)-N-(isoquinolin-1-ylmethyl)acetamide
CID 126795442
1-(7-chloro-1H-indol-3-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103474467
isoquinoline-8-carboxylate
CID 86306452

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone?
The IUPAC name of 2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone (CID 103168190) is 2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone is CCOC1CC(CC(=O)c2cccc3ccncc23)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone?
The InChIKey is LJIYIWRAOZOMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-20-14-8-12(9-14)10-17(19)15-5-3-4-13-6-7-18-11-16(13)15/h3-7,11-12,14H,2,8-10H2,1H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone?
2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone has a molecular weight of 269.34 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone is sourced from PubChem (CID 103168190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).