8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline

C17H15NOS — CID 141263688

IUPAC8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline
SMILESCOc1ccc2c(c1)CCn1ccc(-c3cccs3)c1-2
InChIInChI=1S/C17H15NOS/c1-19-13-4-5-14-12(11-13)6-8-18-9-7-15(17(14)18)16-3-2-10-20-16/h2-5,7,9-11H,6,8H2,1H3
InChIKeyMHLCCNHIHZNLJT-UHFFFAOYSA-N
MW281.38 g/mol
LogP4.45
Rot. Bonds2

About 8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline

8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline (PubChem CID 141263688) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline
PubChem CID141263688
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline
SMILESCOc1ccc2c(c1)CCn1ccc(-c3cccs3)c1-2
InChIInChI=1S/C17H15NOS/c1-19-13-4-5-14-12(11-13)6-8-18-9-7-15(17(14)18)16-3-2-10-20-16/h2-5,7,9-11H,6,8H2,1H3
InChIKeyMHLCCNHIHZNLJT-UHFFFAOYSA-N
XLogP4.45
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-methoxyphenyl)thiophene
CID 172555781
2-(7-methoxynaphthalen-1-yl)thiophene
CID 57250783
(E)-1-(5-methoxy-2-thiophen-2-ylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine
CID 59827815
7-methoxy-1-phenyl-4,5-dihydrobenzo[g]indazole
CID 11425868
6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
CID 11573806
8-methoxy-9-(2-methylpropyl)-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 59626583
N-[(5-methoxy-2-thiophen-2-ylphenyl)methyl]propan-1-amine
CID 114077900
6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one
CID 11043266
1-(9-amino-8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)ethanone;ethane
CID 143843383
2-tert-butyl-6-methoxy-3,4-dihydroisoquinolin-1-one
CID 90292174
5-methoxy-1-methylsulfonyl-2,3-dihydroindole
CID 110714108
6-methoxy-1-pyrrol-1-yl-3,4-dihydronaphthalene-2-carbaldehyde
CID 102088801

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline?
The IUPAC name of 8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline (CID 141263688) is 8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline.
What is the SMILES notation for 8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline?
The canonical SMILES for 8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline is COc1ccc2c(c1)CCn1ccc(-c3cccs3)c1-2.
What is the InChIKey of 8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline?
The InChIKey is MHLCCNHIHZNLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c1-19-13-4-5-14-12(11-13)6-8-18-9-7-15(17(14)18)16-3-2-10-20-16/h2-5,7,9-11H,6,8H2,1H3.
What are the key properties of 8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline?
8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline has a molecular weight of 281.38 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline is sourced from PubChem (CID 141263688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).