6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline

C18H21NO3 — CID 617484

IUPAC6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(C2CNCc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C18H21NO3/c1-20-14-6-4-12(5-7-14)16-11-19-10-13-8-17(21-2)18(22-3)9-15(13)16/h4-9,16,19H,10-11H2,1-3H3
InChIKeyGJLYSOIQYXPZQS-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.95
Rot. Bonds4

About 6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline

6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 617484) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID617484
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(C2CNCc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C18H21NO3/c1-20-14-6-4-12(5-7-14)16-11-19-10-13-8-17(21-2)18(22-3)9-15(13)16/h4-9,16,19H,10-11H2,1-3H3
InChIKeyGJLYSOIQYXPZQS-UHFFFAOYSA-N
XLogP2.95
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]-2-methylphenol
CID 7055092
7,8-dimethoxy-5-(4-methoxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 132517866
4-(4-methoxyphenyl)-7-(1-piperidin-3-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline
CID 66898215
4-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-2,7-naphthyridine
CID 155598161
6,7-dimethoxy-1-(4-methoxyphenyl)-2,4-dihydro-1H-isoquinolin-3-one
CID 6456492
4-(4-methoxyphenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983458
(4S)-4-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 67721838
(5S)-8-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
CID 102328393
7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride
CID 161060246
4-(3,4-dimethoxyphenyl)-5-methyl-1,2,3,4-tetrahydroisoquinoline
CID 10540962
7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983704
6-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,3-benzoxazole
CID 102696445

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline (CID 617484) is 6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline is COc1ccc(C2CNCc3cc(OC)c(OC)cc32)cc1.
What is the InChIKey of 6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is GJLYSOIQYXPZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-20-14-6-4-12(5-7-14)16-11-19-10-13-8-17(21-2)18(22-3)9-15(13)16/h4-9,16,19H,10-11H2,1-3H3.
What are the key properties of 6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline?
6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 299.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 617484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).