6,7-dimethoxy-1-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

C14H19N5O2 — CID 107054789

IUPAC6,7-dimethoxy-1-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(Cc1nnn(C)n1)NCC2
InChIInChI=1S/C14H19N5O2/c1-19-17-14(16-18-19)8-11-10-7-13(21-3)12(20-2)6-9(10)4-5-15-11/h6-7,11,15H,4-5,8H2,1-3H3
InChIKeyZIAOVFTVYYQWON-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.66
Rot. Bonds4

About 6,7-dimethoxy-1-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

6,7-dimethoxy-1-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 107054789) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6,7-dimethoxy-1-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID107054789
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name6,7-dimethoxy-1-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(Cc1nnn(C)n1)NCC2
InChIInChI=1S/C14H19N5O2/c1-19-17-14(16-18-19)8-11-10-7-13(21-3)12(20-2)6-9(10)4-5-15-11/h6-7,11,15H,4-5,8H2,1-3H3
InChIKeyZIAOVFTVYYQWON-UHFFFAOYSA-N
XLogP0.66
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 688594
(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
6,7-dimethoxy-1-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106780527
(1S)-1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 12665035
(1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 7157325
1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 12934313
(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

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6,7-dimethoxy-1-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 107054789) is 6,7-dimethoxy-1-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(cc1OC)C(Cc1nnn(C)n1)NCC2.
What is the InChIKey of 6,7-dimethoxy-1-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ZIAOVFTVYYQWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-19-17-14(16-18-19)8-11-10-7-13(21-3)12(20-2)6-9(10)4-5-15-11/h6-7,11,15H,4-5,8H2,1-3H3.
What are the key properties of 6,7-dimethoxy-1-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
6,7-dimethoxy-1-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 289.34 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-[(2-methyltetrazol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 107054789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).