5-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxolane-2-carboxamide;hydrochloride

C16H22ClFN2O2 — CID 120884097

IUPAC5-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxolane-2-carboxamide;hydrochloride
SMILESCCC1CCC(C(=O)Nc2ccc3c(c2F)CCNC3)O1.Cl
InChIInChI=1S/C16H21FN2O2.ClH/c1-2-11-4-6-14(21-11)16(20)19-13-5-3-10-9-18-8-7-12(10)15(13)17;/h3,5,11,14,18H,2,4,6-9H2,1H3,(H,19,20);1H
InChIKeyWKNYFBQGKHKUPK-UHFFFAOYSA-N
MW328.82 g/mol
LogP2.79
Rot. Bonds3

About 5-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxolane-2-carboxamide;hydrochloride

5-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxolane-2-carboxamide;hydrochloride (PubChem CID 120884097) has the molecular formula C16H22ClFN2O2 and a molecular weight of 328.82 g/mol. Its IUPAC name is 5-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxolane-2-carboxamide;hydrochloride
PubChem CID120884097
Molecular FormulaC16H22ClFN2O2
Molecular Weight328.82 g/mol
Exact Mass328.14
IUPAC Name5-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxolane-2-carboxamide;hydrochloride
SMILESCCC1CCC(C(=O)Nc2ccc3c(c2F)CCNC3)O1.Cl
InChIInChI=1S/C16H21FN2O2.ClH/c1-2-11-4-6-14(21-11)16(20)19-13-5-3-10-9-18-8-7-12(10)15(13)17;/h3,5,11,14,18H,2,4,6-9H2,1H3,(H,19,20);1H
InChIKeyWKNYFBQGKHKUPK-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.82
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxolane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxane-2-carboxamide
CID 120882416
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclobutanecarboxamide;hydrochloride
CID 120883833
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide
CID 120883420
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide
CID 120882858
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride
CID 120881587
1-butanoyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-4-carboxamide
CID 120881672
1-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120881653
(4R)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120882971
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-(4-methylcyclohexyl)acetamide;hydrochloride
CID 120882749
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3-(oxan-2-yl)propanamide;hydrochloride
CID 120881399
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methylsulfonylacetamide;hydrochloride
CID 120884179
5-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-methylthiophene-2-carboxamide;hydrochloride
CID 120883819

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxolane-2-carboxamide;hydrochloride?
The IUPAC name of 5-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxolane-2-carboxamide;hydrochloride (CID 120884097) is 5-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for 5-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxolane-2-carboxamide;hydrochloride is CCC1CCC(C(=O)Nc2ccc3c(c2F)CCNC3)O1.Cl.
What is the InChIKey of 5-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxolane-2-carboxamide;hydrochloride?
The InChIKey is WKNYFBQGKHKUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2.ClH/c1-2-11-4-6-14(21-11)16(20)19-13-5-3-10-9-18-8-7-12(10)15(13)17;/h3,5,11,14,18H,2,4,6-9H2,1H3,(H,19,20);1H.
What are the key properties of 5-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxolane-2-carboxamide;hydrochloride?
5-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxolane-2-carboxamide;hydrochloride has a molecular weight of 328.82 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120884097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).