3-ethoxy-1-isoquinolin-5-ylcyclobutan-1-ol

C15H17NO2 — CID 106823348

IUPAC3-ethoxy-1-isoquinolin-5-ylcyclobutan-1-ol
SMILESCCOC1CC(O)(c2cccc3cnccc23)C1
InChIInChI=1S/C15H17NO2/c1-2-18-12-8-15(17,9-12)14-5-3-4-11-10-16-7-6-13(11)14/h3-7,10,12,17H,2,8-9H2,1H3
InChIKeyKXCKUFQFWAXCFA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.62
Rot. Bonds3

About 3-ethoxy-1-isoquinolin-5-ylcyclobutan-1-ol

3-ethoxy-1-isoquinolin-5-ylcyclobutan-1-ol (PubChem CID 106823348) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-ethoxy-1-isoquinolin-5-ylcyclobutan-1-ol.

Molecular Properties

Compound Name3-ethoxy-1-isoquinolin-5-ylcyclobutan-1-ol
PubChem CID106823348
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-ethoxy-1-isoquinolin-5-ylcyclobutan-1-ol
SMILESCCOC1CC(O)(c2cccc3cnccc23)C1
InChIInChI=1S/C15H17NO2/c1-2-18-12-8-15(17,9-12)14-5-3-4-11-10-16-7-6-13(11)14/h3-7,10,12,17H,2,8-9H2,1H3
InChIKeyKXCKUFQFWAXCFA-UHFFFAOYSA-N
XLogP2.62
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-5-yl-3,3,5-trimethylcyclohexan-1-ol
CID 62811614
1-isoquinolin-5-yl-4-methylcycloheptan-1-ol
CID 65084645
3-isoquinolin-5-yl-5,5-dimethylthian-3-ol
CID 79946733
1-isoquinolin-5-yl-3,5-dimethylcyclohexan-1-amine
CID 64752040
7-isoquinolin-8-yl-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171956058
(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)-[(1S,2R)-1-methyl-2-phenylcyclopropyl]methanone
CID 166254624
2-cyclopropyl-1-(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)propan-1-one
CID 126827430
1-(4-hydroxy-4-isoquinolin-5-ylpiperidin-1-yl)-3-methylbut-2-en-1-one
CID 126827427
2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone
CID 103168190
6-(4-ethoxypiperidin-1-yl)isoquinolin-5-amine
CID 106947725
1-isoquinolin-5-yl-4-methylcyclohexan-1-amine
CID 55119185
tert-butyl 3-hydroxy-3-isoquinolin-8-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171956051

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-isoquinolin-5-ylcyclobutan-1-ol?
The IUPAC name of 3-ethoxy-1-isoquinolin-5-ylcyclobutan-1-ol (CID 106823348) is 3-ethoxy-1-isoquinolin-5-ylcyclobutan-1-ol.
What is the SMILES notation for 3-ethoxy-1-isoquinolin-5-ylcyclobutan-1-ol?
The canonical SMILES for 3-ethoxy-1-isoquinolin-5-ylcyclobutan-1-ol is CCOC1CC(O)(c2cccc3cnccc23)C1.
What is the InChIKey of 3-ethoxy-1-isoquinolin-5-ylcyclobutan-1-ol?
The InChIKey is KXCKUFQFWAXCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-18-12-8-15(17,9-12)14-5-3-4-11-10-16-7-6-13(11)14/h3-7,10,12,17H,2,8-9H2,1H3.
What are the key properties of 3-ethoxy-1-isoquinolin-5-ylcyclobutan-1-ol?
3-ethoxy-1-isoquinolin-5-ylcyclobutan-1-ol has a molecular weight of 243.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-isoquinolin-5-ylcyclobutan-1-ol is sourced from PubChem (CID 106823348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).