6,7-dimethoxy-2-[(2-methyloxan-4-yl)methyl]-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline

C22H29NO3S — CID 102561193

IUPAC6,7-dimethoxy-2-[(2-methyloxan-4-yl)methyl]-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)C(c1cccs1)N(CC1CCOC(C)C1)CC2
InChIInChI=1S/C22H29NO3S/c1-15-11-16(7-9-26-15)14-23-8-6-17-12-19(24-2)20(25-3)13-18(17)22(23)21-5-4-10-27-21/h4-5,10,12-13,15-16,22H,6-9,11,14H2,1-3H3
InChIKeyVIBMWMUNMXVJMU-UHFFFAOYSA-N
MW387.55 g/mol
LogP4.53
Rot. Bonds5

About 6,7-dimethoxy-2-[(2-methyloxan-4-yl)methyl]-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline

6,7-dimethoxy-2-[(2-methyloxan-4-yl)methyl]-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 102561193) has the molecular formula C22H29NO3S and a molecular weight of 387.55 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[(2-methyloxan-4-yl)methyl]-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-2-[(2-methyloxan-4-yl)methyl]-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline
PubChem CID102561193
Molecular FormulaC22H29NO3S
Molecular Weight387.55 g/mol
Exact Mass387.19
IUPAC Name6,7-dimethoxy-2-[(2-methyloxan-4-yl)methyl]-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)C(c1cccs1)N(CC1CCOC(C)C1)CC2
InChIInChI=1S/C22H29NO3S/c1-15-11-16(7-9-26-15)14-23-8-6-17-12-19(24-2)20(25-3)13-18(17)22(23)21-5-4-10-27-21/h4-5,10,12-13,15-16,22H,6-9,11,14H2,1-3H3
InChIKeyVIBMWMUNMXVJMU-UHFFFAOYSA-N
XLogP4.53
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,7-dimethoxy-2-[(2-methyloxan-4-yl)methyl]-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]pyrrolidin-2-one
CID 17485781
4-[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]butanoic acid
CID 124564392
3-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 86911859
5-chloro-4-[[(1S)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]thiadiazole
CID 9453722
2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(methylcarbamoyl)acetamide
CID 51199578
6-[[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 30282239
2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)acetamide
CID 51171675
1-[2-[(1R)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl]acetyl]imidazolidin-2-one
CID 9288707
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
3-cyclohexyl-1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 43007286
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 55503533

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[(2-methyloxan-4-yl)methyl]-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-dimethoxy-2-[(2-methyloxan-4-yl)methyl]-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline (CID 102561193) is 6,7-dimethoxy-2-[(2-methyloxan-4-yl)methyl]-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-2-[(2-methyloxan-4-yl)methyl]-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-dimethoxy-2-[(2-methyloxan-4-yl)methyl]-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)C(c1cccs1)N(CC1CCOC(C)C1)CC2.
What is the InChIKey of 6,7-dimethoxy-2-[(2-methyloxan-4-yl)methyl]-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is VIBMWMUNMXVJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3S/c1-15-11-16(7-9-26-15)14-23-8-6-17-12-19(24-2)20(25-3)13-18(17)22(23)21-5-4-10-27-21/h4-5,10,12-13,15-16,22H,6-9,11,14H2,1-3H3.
What are the key properties of 6,7-dimethoxy-2-[(2-methyloxan-4-yl)methyl]-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline?
6,7-dimethoxy-2-[(2-methyloxan-4-yl)methyl]-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 387.55 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[(2-methyloxan-4-yl)methyl]-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 102561193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).