6,7-dimethoxy-1-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

C16H21N3O2 — CID 106780527

IUPAC6,7-dimethoxy-1-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(Cc1nccn1C)NCC2
InChIInChI=1S/C16H21N3O2/c1-19-7-6-18-16(19)10-13-12-9-15(21-3)14(20-2)8-11(12)4-5-17-13/h6-9,13,17H,4-5,10H2,1-3H3
InChIKeyYEGATKFFAWKXNT-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.87
Rot. Bonds4

About 6,7-dimethoxy-1-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

6,7-dimethoxy-1-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106780527) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 6,7-dimethoxy-1-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID106780527
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name6,7-dimethoxy-1-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(Cc1nccn1C)NCC2
InChIInChI=1S/C16H21N3O2/c1-19-7-6-18-16(19)10-13-12-9-15(21-3)14(20-2)8-11(12)4-5-17-13/h6-9,13,17H,4-5,10H2,1-3H3
InChIKeyYEGATKFFAWKXNT-UHFFFAOYSA-N
XLogP1.87
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dimethoxy-1-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 107054789
(1S)-1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 12665035
(1R)-1-[[2-[2-[2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-4,5-dimethoxyphenyl]ethyl]-4,5-dimethoxyphenyl]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 102030471
(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 688594
(1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 7157325
(1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 10969027
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]ethanol
CID 7157311
6,7-dimethoxy-1-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 68647970
1,3-bis(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)propan-2-one
CID 54506652
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetonitrile
CID 7157143
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 22643314
7-ethoxy-6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 166067832

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6,7-dimethoxy-1-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 106780527) is 6,7-dimethoxy-1-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(cc1OC)C(Cc1nccn1C)NCC2.
What is the InChIKey of 6,7-dimethoxy-1-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is YEGATKFFAWKXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19-7-6-18-16(19)10-13-12-9-15(21-3)14(20-2)8-11(12)4-5-17-13/h6-9,13,17H,4-5,10H2,1-3H3.
What are the key properties of 6,7-dimethoxy-1-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
6,7-dimethoxy-1-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 287.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106780527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).