6-methoxy-2-methyl-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol

C15H17NO2S — CID 23919112

IUPAC6-methoxy-2-methyl-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCOc1cc2c(cc1O)C(c1cccs1)N(C)CC2
InChIInChI=1S/C15H17NO2S/c1-16-6-5-10-8-13(18-2)12(17)9-11(10)15(16)14-4-3-7-19-14/h3-4,7-9,15,17H,5-6H2,1-2H3
InChIKeyDONMMCIVCYZVFO-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.04
Rot. Bonds2

About 6-methoxy-2-methyl-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol

6-methoxy-2-methyl-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol (PubChem CID 23919112) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 6-methoxy-2-methyl-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol.

Molecular Properties

Compound Name6-methoxy-2-methyl-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol
PubChem CID23919112
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name6-methoxy-2-methyl-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCOc1cc2c(cc1O)C(c1cccs1)N(C)CC2
InChIInChI=1S/C15H17NO2S/c1-16-6-5-10-8-13(18-2)12(17)9-11(10)15(16)14-4-3-7-19-14/h3-4,7-9,15,17H,5-6H2,1-2H3
InChIKeyDONMMCIVCYZVFO-UHFFFAOYSA-N
XLogP3.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
CID 23757267
6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 56807771
1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylsulfanylethanone
CID 112793874
4-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid
CID 124564392
(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 3250273
(1S)-6,7-dimethoxy-N-propan-2-yl-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CID 2496313
1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 51252857
4-bromo-2-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)phenol
CID 609741
[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]-(4-fluorophenyl)methanone
CID 7428196
4-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]benzenesulfonamide
CID 40844482
(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-4-ylmethanone
CID 119268461
2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)acetamide
CID 51171675

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol?
The IUPAC name of 6-methoxy-2-methyl-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol (CID 23919112) is 6-methoxy-2-methyl-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol.
What is the SMILES notation for 6-methoxy-2-methyl-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol?
The canonical SMILES for 6-methoxy-2-methyl-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol is COc1cc2c(cc1O)C(c1cccs1)N(C)CC2.
What is the InChIKey of 6-methoxy-2-methyl-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol?
The InChIKey is DONMMCIVCYZVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-16-6-5-10-8-13(18-2)12(17)9-11(10)15(16)14-4-3-7-19-14/h3-4,7-9,15,17H,5-6H2,1-2H3.
What are the key properties of 6-methoxy-2-methyl-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol?
6-methoxy-2-methyl-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol has a molecular weight of 275.37 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-ol is sourced from PubChem (CID 23919112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).