6,7-dimethoxy-1-(5-methylpyrazolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline

C15H23N3O2 — CID 133108295

IUPAC6,7-dimethoxy-1-(5-methylpyrazolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(C1CC(C)NN1)NCC2
InChIInChI=1S/C15H23N3O2/c1-9-6-12(18-17-9)15-11-8-14(20-3)13(19-2)7-10(11)4-5-16-15/h7-9,12,15-18H,4-6H2,1-3H3
InChIKeyRJFSWCJFXTXONO-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.15
Rot. Bonds3

About 6,7-dimethoxy-1-(5-methylpyrazolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline

6,7-dimethoxy-1-(5-methylpyrazolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 133108295) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 6,7-dimethoxy-1-(5-methylpyrazolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-(5-methylpyrazolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID133108295
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name6,7-dimethoxy-1-(5-methylpyrazolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(C1CC(C)NN1)NCC2
InChIInChI=1S/C15H23N3O2/c1-9-6-12(18-17-9)15-11-8-14(20-3)13(19-2)7-10(11)4-5-16-15/h7-9,12,15-18H,4-6H2,1-3H3
InChIKeyRJFSWCJFXTXONO-UHFFFAOYSA-N
XLogP1.15
TPSA54.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-chloro-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 141053533
6,7-dimethoxy-1-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 112511947
6,7-dimethoxy-1-piperidin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 71422083
(1S)-1-ethyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 12665035
(1S)-1-tert-butyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 42056014
6,7-dimethoxy-1-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 83970448
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]acetonitrile
CID 7157143
(2S)-1-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]propan-2-ol
CID 101016948
6,7-dimethoxy-1-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 68647970
6,7-dimethoxy-1-(2-methylbutyl)-1,2,3,4-tetrahydroisoquinoline
CID 106778754
(1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 745498
2-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]ethanol
CID 7157311

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-(5-methylpyrazolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6,7-dimethoxy-1-(5-methylpyrazolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline (CID 133108295) is 6,7-dimethoxy-1-(5-methylpyrazolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-(5-methylpyrazolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-(5-methylpyrazolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(cc1OC)C(C1CC(C)NN1)NCC2.
What is the InChIKey of 6,7-dimethoxy-1-(5-methylpyrazolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is RJFSWCJFXTXONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-9-6-12(18-17-9)15-11-8-14(20-3)13(19-2)7-10(11)4-5-16-15/h7-9,12,15-18H,4-6H2,1-3H3.
What are the key properties of 6,7-dimethoxy-1-(5-methylpyrazolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline?
6,7-dimethoxy-1-(5-methylpyrazolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 277.37 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-(5-methylpyrazolidin-3-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 133108295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).