1-pyridin-4-yl-2-thiophen-2-yl-3,4-dihydro-1H-isoquinoline

C18H16N2S — CID 4737470

IUPAC1-pyridin-4-yl-2-thiophen-2-yl-3,4-dihydro-1H-isoquinoline
SMILESc1csc(N2CCc3ccccc3C2c2ccncc2)c1
InChIInChI=1S/C18H16N2S/c1-2-5-16-14(4-1)9-12-20(17-6-3-13-21-17)18(16)15-7-10-19-11-8-15/h1-8,10-11,13,18H,9,12H2
InChIKeyRPYMCKOIYUNZFZ-UHFFFAOYSA-N
MW292.41 g/mol
LogP4.30
Rot. Bonds2

About 1-pyridin-4-yl-2-thiophen-2-yl-3,4-dihydro-1H-isoquinoline

1-pyridin-4-yl-2-thiophen-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 4737470) has the molecular formula C18H16N2S and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-pyridin-4-yl-2-thiophen-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-pyridin-4-yl-2-thiophen-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID4737470
Molecular FormulaC18H16N2S
Molecular Weight292.41 g/mol
Exact Mass292.10
IUPAC Name1-pyridin-4-yl-2-thiophen-2-yl-3,4-dihydro-1H-isoquinoline
SMILESc1csc(N2CCc3ccccc3C2c2ccncc2)c1
InChIInChI=1S/C18H16N2S/c1-2-5-16-14(4-1)9-12-20(17-6-3-13-21-17)18(16)15-7-10-19-11-8-15/h1-8,10-11,13,18H,9,12H2
InChIKeyRPYMCKOIYUNZFZ-UHFFFAOYSA-N
XLogP4.30
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 110400609
cyclobutyl-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400666
4-phenoxy-1-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
CID 110400639
2-(1,3-benzodioxol-5-ylsulfonyl)-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline
CID 110400677
2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1-[(1S)-1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 162108851
2-(4-fluoro-2-methylphenyl)sulfonyl-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline
CID 110400673
2-[(3-methylphenyl)methylsulfonyl]-1-pyridin-4-yl-3,4-dihydro-1H-isoquinoline
CID 110400681
1-thiophen-2-yl-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 5263889
[1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-thiophen-2-ylmethanone
CID 110288971
2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 23568852
1-(1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 71417545
1-methyl-2-pyrimidin-4-yl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 142625962

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-yl-2-thiophen-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-pyridin-4-yl-2-thiophen-2-yl-3,4-dihydro-1H-isoquinoline (CID 4737470) is 1-pyridin-4-yl-2-thiophen-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-pyridin-4-yl-2-thiophen-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-pyridin-4-yl-2-thiophen-2-yl-3,4-dihydro-1H-isoquinoline is c1csc(N2CCc3ccccc3C2c2ccncc2)c1.
What is the InChIKey of 1-pyridin-4-yl-2-thiophen-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is RPYMCKOIYUNZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2S/c1-2-5-16-14(4-1)9-12-20(17-6-3-13-21-17)18(16)15-7-10-19-11-8-15/h1-8,10-11,13,18H,9,12H2.
What are the key properties of 1-pyridin-4-yl-2-thiophen-2-yl-3,4-dihydro-1H-isoquinoline?
1-pyridin-4-yl-2-thiophen-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 292.41 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-yl-2-thiophen-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 4737470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).