1-(2-methoxynaphthalen-1-yl)-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline

C24H21NOS — CID 46845625

IUPAC1-(2-methoxynaphthalen-1-yl)-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline
SMILESCOc1ccc2ccccc2c1-c1nc(-c2cccs2)cc2c1CCCC2
InChIInChI=1S/C24H21NOS/c1-26-21-13-12-16-7-2-4-9-18(16)23(21)24-19-10-5-3-8-17(19)15-20(25-24)22-11-6-14-27-22/h2,4,6-7,9,11-15H,3,5,8,10H2,1H3
InChIKeyNXRYXEKZDZPFFI-UHFFFAOYSA-N
MW371.51 g/mol
LogP6.52
Rot. Bonds3

About 1-(2-methoxynaphthalen-1-yl)-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline

1-(2-methoxynaphthalen-1-yl)-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline (PubChem CID 46845625) has the molecular formula C24H21NOS and a molecular weight of 371.51 g/mol. Its IUPAC name is 1-(2-methoxynaphthalen-1-yl)-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(2-methoxynaphthalen-1-yl)-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline
PubChem CID46845625
Molecular FormulaC24H21NOS
Molecular Weight371.51 g/mol
Exact Mass371.13
IUPAC Name1-(2-methoxynaphthalen-1-yl)-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline
SMILESCOc1ccc2ccccc2c1-c1nc(-c2cccs2)cc2c1CCCC2
InChIInChI=1S/C24H21NOS/c1-26-21-13-12-16-7-2-4-9-18(16)23(21)24-19-10-5-3-8-17(19)15-20(25-24)22-11-6-14-27-22/h2,4,6-7,9,11-15H,3,5,8,10H2,1H3
InChIKeyNXRYXEKZDZPFFI-UHFFFAOYSA-N
XLogP6.52
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.51
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxynaphthalen-1-yl)-3-phenyl-5,6-dihydrocyclopenta[c]pyridin-7-one
CID 177402488
ethane;2-methoxy-1-(6-methyl-2,3-dihydro-1H-inden-5-yl)naphthalene
CID 143505686
4-(2-methoxynaphthalen-1-yl)-6-phenyl-1H-furo[3,4-c]pyridin-3-one
CID 177395500
7,8-dimethoxy-3-thiophen-2-ylisoquinoline
CID 177380109
1-(2-methoxynaphthalen-1-yl)-3,4-dihydronaphthalen-2-ol
CID 162414492
3-thiophen-2-ylisoquinolin-1-amine
CID 24955965
2-(2-methoxynaphthalen-1-yl)pyridine
CID 71446434
4-(2-methoxynaphthalen-1-yl)-2-methyl-1,3-thiazol-5-amine
CID 62082718
(2-methoxyphenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate
CID 19648279
6-methoxy-1,2,3,4-tetrahydrochrysene
CID 174384948
4-(3-chloro-4-methoxyphenoxy)-2-thiophen-2-ylquinoline
CID 58658908
2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene
CID 71444357

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxynaphthalen-1-yl)-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline?
The IUPAC name of 1-(2-methoxynaphthalen-1-yl)-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline (CID 46845625) is 1-(2-methoxynaphthalen-1-yl)-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline.
What is the SMILES notation for 1-(2-methoxynaphthalen-1-yl)-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline?
The canonical SMILES for 1-(2-methoxynaphthalen-1-yl)-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline is COc1ccc2ccccc2c1-c1nc(-c2cccs2)cc2c1CCCC2.
What is the InChIKey of 1-(2-methoxynaphthalen-1-yl)-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline?
The InChIKey is NXRYXEKZDZPFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NOS/c1-26-21-13-12-16-7-2-4-9-18(16)23(21)24-19-10-5-3-8-17(19)15-20(25-24)22-11-6-14-27-22/h2,4,6-7,9,11-15H,3,5,8,10H2,1H3.
What are the key properties of 1-(2-methoxynaphthalen-1-yl)-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline?
1-(2-methoxynaphthalen-1-yl)-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline has a molecular weight of 371.51 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxynaphthalen-1-yl)-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline is sourced from PubChem (CID 46845625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).