1-(5-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

C15H14BrNOS — CID 43227068

IUPAC1-(5-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESO=C(CN1CCc2ccccc2C1)c1ccc(Br)s1
InChIInChI=1S/C15H14BrNOS/c16-15-6-5-14(19-15)13(18)10-17-8-7-11-3-1-2-4-12(11)9-17/h1-6H,7-10H2
InChIKeyFNZHMNQDPVBVHM-UHFFFAOYSA-N
MW336.25 g/mol
LogP3.75
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

1-(5-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone (PubChem CID 43227068) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
PubChem CID43227068
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC Name1-(5-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESO=C(CN1CCc2ccccc2C1)c1ccc(Br)s1
InChIInChI=1S/C15H14BrNOS/c16-15-6-5-14(19-15)13(18)10-17-8-7-11-3-1-2-4-12(11)9-17/h1-6H,7-10H2
InChIKeyFNZHMNQDPVBVHM-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63153150
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CID 43227756
1-(5-bromothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 43228330
1-(5-bromothiophen-2-yl)-2-(4-butan-2-ylpiperazin-1-yl)ethanone
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2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethylsulfanylphenyl)ethanone
CID 82052829
1-(5-bromothiophen-2-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 106836577
1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 62036555
3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 60624814
1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960675
1-(5-bromothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 51363090
1-(2-chloro-5-methylphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 82050185
1-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione
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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CID 43227068) is 1-(5-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone is O=C(CN1CCc2ccccc2C1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The InChIKey is FNZHMNQDPVBVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c16-15-6-5-14(19-15)13(18)10-17-8-7-11-3-1-2-4-12(11)9-17/h1-6H,7-10H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
1-(5-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone has a molecular weight of 336.25 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone is sourced from PubChem (CID 43227068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).