1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride

C12H16ClFN2O — CID 120705217

IUPAC1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCc2ccc(F)cc2C1.Cl
InChIInChI=1S/C12H15FN2O.ClH/c1-14-7-12(16)15-5-4-9-2-3-11(13)6-10(9)8-15;/h2-3,6,14H,4-5,7-8H2,1H3;1H
InChIKeyZPSQZSFNQBOAGL-UHFFFAOYSA-N
MW258.72 g/mol
LogP1.35
Rot. Bonds2

About 1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride

1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride (PubChem CID 120705217) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride
PubChem CID120705217
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCc2ccc(F)cc2C1.Cl
InChIInChI=1S/C12H15FN2O.ClH/c1-14-7-12(16)15-5-4-9-2-3-11(13)6-10(9)8-15;/h2-3,6,14H,4-5,7-8H2,1H3;1H
InChIKeyZPSQZSFNQBOAGL-UHFFFAOYSA-N
XLogP1.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
CID 165136223
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119760474
1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride
CID 119693099
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119700093
2-(2,4-difluoroanilino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 109000108
2-[2-(4-fluorophenyl)acetyl]-N-methyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110644286
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 75385778
5-fluoro-N-methyl-1,3-dihydroisoindole-2-carboxamide
CID 175773475
2-amino-1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylethanone;hydrochloride
CID 86784325
2-[3-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]benzoic acid
CID 120550145
4-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 120674494
N-[1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-2-phenoxyacetamide
CID 166180934

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride?
The IUPAC name of 1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride (CID 120705217) is 1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride?
The canonical SMILES for 1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride is CNCC(=O)N1CCc2ccc(F)cc2C1.Cl.
What is the InChIKey of 1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride?
The InChIKey is ZPSQZSFNQBOAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O.ClH/c1-14-7-12(16)15-5-4-9-2-3-11(13)6-10(9)8-15;/h2-3,6,14H,4-5,7-8H2,1H3;1H.
What are the key properties of 1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride?
1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride has a molecular weight of 258.72 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methylamino)ethanone;hydrochloride is sourced from PubChem (CID 120705217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).