7-ethoxy-6-methoxy-1-(3-methylthiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline

C17H21NO2S — CID 3395962

IUPAC7-ethoxy-6-methoxy-1-(3-methylthiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1cc2c(cc1OC)CCNC2c1sccc1C
InChIInChI=1S/C17H21NO2S/c1-4-20-15-10-13-12(9-14(15)19-3)5-7-18-16(13)17-11(2)6-8-21-17/h6,8-10,16,18H,4-5,7H2,1-3H3
InChIKeyIGXSGKWOUNPBGD-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.70
Rot. Bonds4

About 7-ethoxy-6-methoxy-1-(3-methylthiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline

7-ethoxy-6-methoxy-1-(3-methylthiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 3395962) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 7-ethoxy-6-methoxy-1-(3-methylthiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-ethoxy-6-methoxy-1-(3-methylthiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID3395962
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name7-ethoxy-6-methoxy-1-(3-methylthiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1cc2c(cc1OC)CCNC2c1sccc1C
InChIInChI=1S/C17H21NO2S/c1-4-20-15-10-13-12(9-14(15)19-3)5-7-18-16(13)17-11(2)6-8-21-17/h6,8-10,16,18H,4-5,7H2,1-3H3
InChIKeyIGXSGKWOUNPBGD-UHFFFAOYSA-N
XLogP3.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-ethoxy-6-methoxy-1-(3-methylthiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline 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

7-ethoxy-6-methoxy-1-(2,4,5-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 5135970
1-(2,6-dimethylphenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3948451
6,7-diethoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3994992
1-(2,5-dimethoxyphenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 5145855
6-ethoxy-1-(4-ethoxy-3-methoxyphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 4318685
1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3351200
(1S)-1-(3,4-dimethoxyphenyl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 729177
1-(2,5-dichlorophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3450149
6,7-diethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 90485238
(1S)-1-(3,4-dimethylphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 672749
1-(4-bromophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 5105093
4-chloro-2-(6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)phenol
CID 5195515

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-6-methoxy-1-(3-methylthiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-ethoxy-6-methoxy-1-(3-methylthiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline (CID 3395962) is 7-ethoxy-6-methoxy-1-(3-methylthiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-ethoxy-6-methoxy-1-(3-methylthiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-ethoxy-6-methoxy-1-(3-methylthiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline is CCOc1cc2c(cc1OC)CCNC2c1sccc1C.
What is the InChIKey of 7-ethoxy-6-methoxy-1-(3-methylthiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is IGXSGKWOUNPBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-4-20-15-10-13-12(9-14(15)19-3)5-7-18-16(13)17-11(2)6-8-21-17/h6,8-10,16,18H,4-5,7H2,1-3H3.
What are the key properties of 7-ethoxy-6-methoxy-1-(3-methylthiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline?
7-ethoxy-6-methoxy-1-(3-methylthiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 303.43 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-6-methoxy-1-(3-methylthiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 3395962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).