6,7-dimethoxy-2-methylsulfinyl-3,4-dihydro-1H-isoquinoline

C12H17NO3S — CID 155395771

IUPAC6,7-dimethoxy-2-methylsulfinyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(S(C)=O)CC2
InChIInChI=1S/C12H17NO3S/c1-15-11-6-9-4-5-13(17(3)14)8-10(9)7-12(11)16-2/h6-7H,4-5,8H2,1-3H3
InChIKeyFDOOTZLYFROWJR-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.36
Rot. Bonds3

About 6,7-dimethoxy-2-methylsulfinyl-3,4-dihydro-1H-isoquinoline

6,7-dimethoxy-2-methylsulfinyl-3,4-dihydro-1H-isoquinoline (PubChem CID 155395771) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methylsulfinyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-2-methylsulfinyl-3,4-dihydro-1H-isoquinoline
PubChem CID155395771
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name6,7-dimethoxy-2-methylsulfinyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(S(C)=O)CC2
InChIInChI=1S/C12H17NO3S/c1-15-11-6-9-4-5-13(17(3)14)8-10(9)7-12(11)16-2/h6-7H,4-5,8H2,1-3H3
InChIKeyFDOOTZLYFROWJR-UHFFFAOYSA-N
XLogP1.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892
methyl 6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 14249080
7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzazepine-2-carbaldehyde
CID 15496948
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl chloride
CID 142769161
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentane-1,4-dione
CID 60639059
2-(chloromethylsulfonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 55246587
N-hydroxy-6,7-dimethoxy-N-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 15675506
2-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propanoic acid
CID 119134924
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl-trimethylsilane
CID 10085031
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butanamide
CID 62900078
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol
CID 60885340

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methylsulfinyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-dimethoxy-2-methylsulfinyl-3,4-dihydro-1H-isoquinoline (CID 155395771) is 6,7-dimethoxy-2-methylsulfinyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-2-methylsulfinyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-dimethoxy-2-methylsulfinyl-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)CN(S(C)=O)CC2.
What is the InChIKey of 6,7-dimethoxy-2-methylsulfinyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is FDOOTZLYFROWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-15-11-6-9-4-5-13(17(3)14)8-10(9)7-12(11)16-2/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 6,7-dimethoxy-2-methylsulfinyl-3,4-dihydro-1H-isoquinoline?
6,7-dimethoxy-2-methylsulfinyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 255.34 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methylsulfinyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 155395771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).