(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-thiophen-2-ylmethanone

C16H17NO2S — CID 110314226

IUPAC(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-thiophen-2-ylmethanone
SMILESCOc1ccc2c(c1)CCN(C(=O)c1cccs1)C2C
InChIInChI=1S/C16H17NO2S/c1-11-14-6-5-13(19-2)10-12(14)7-8-17(11)16(18)15-4-3-9-20-15/h3-6,9-11H,7-8H2,1-2H3
InChIKeyJQUADAIUDHNNQN-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.52
Rot. Bonds2

About (6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-thiophen-2-ylmethanone

(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-thiophen-2-ylmethanone (PubChem CID 110314226) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is (6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-thiophen-2-ylmethanone
PubChem CID110314226
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-thiophen-2-ylmethanone
SMILESCOc1ccc2c(c1)CCN(C(=O)c1cccs1)C2C
InChIInChI=1S/C16H17NO2S/c1-11-14-6-5-13(19-2)10-12(14)7-8-17(11)16(18)15-4-3-9-20-15/h3-6,9-11H,7-8H2,1-2H3
InChIKeyJQUADAIUDHNNQN-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314237
(2-chlorophenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314259
1-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethylpropan-1-one
CID 110314223
(4-chlorophenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314261
(3,4-dimethoxyphenyl)-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110314239
6-methoxy-N,N,1-trimethyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110314273
[1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-thiophen-2-ylmethanone
CID 110288971
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 6929698
2,2,2-trifluoro-1-(6-methoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 18172472
[(1S)-1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-thiophen-2-ylmethanone
CID 92772639
1-[3-(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]pyrrolidin-2-one
CID 110312260
(3-methoxyphenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156078

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-thiophen-2-ylmethanone?
The IUPAC name of (6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-thiophen-2-ylmethanone (CID 110314226) is (6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-thiophen-2-ylmethanone is COc1ccc2c(c1)CCN(C(=O)c1cccs1)C2C.
What is the InChIKey of (6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-thiophen-2-ylmethanone?
The InChIKey is JQUADAIUDHNNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-11-14-6-5-13(19-2)10-12(14)7-8-17(11)16(18)15-4-3-9-20-15/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of (6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-thiophen-2-ylmethanone?
(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-thiophen-2-ylmethanone has a molecular weight of 287.38 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 110314226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).