7-(6-methoxy-3-pyridinyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline

C16H18N2O — CID 58416402

IUPAC7-(6-methoxy-3-pyridinyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(-c2ccc3c(c2)C(C)NCC3)cn1
InChIInChI=1S/C16H18N2O/c1-11-15-9-13(4-3-12(15)7-8-17-11)14-5-6-16(19-2)18-10-14/h3-6,9-11,17H,7-8H2,1-2H3
InChIKeyXJFIDBMJBHYLRW-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.96
Rot. Bonds2

About 7-(6-methoxy-3-pyridinyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline

7-(6-methoxy-3-pyridinyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 58416402) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 7-(6-methoxy-3-pyridinyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-(6-methoxy-3-pyridinyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID58416402
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name7-(6-methoxy-3-pyridinyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(-c2ccc3c(c2)C(C)NCC3)cn1
InChIInChI=1S/C16H18N2O/c1-11-15-9-13(4-3-12(15)7-8-17-11)14-5-6-16(19-2)18-10-14/h3-6,9-11,17H,7-8H2,1-2H3
InChIKeyXJFIDBMJBHYLRW-UHFFFAOYSA-N
XLogP2.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-3-pyridinyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-(6-methoxy-3-pyridinyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline (CID 58416402) is 7-(6-methoxy-3-pyridinyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-(6-methoxy-3-pyridinyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-(6-methoxy-3-pyridinyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline is COc1ccc(-c2ccc3c(c2)C(C)NCC3)cn1.
What is the InChIKey of 7-(6-methoxy-3-pyridinyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is XJFIDBMJBHYLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-15-9-13(4-3-12(15)7-8-17-11)14-5-6-16(19-2)18-10-14/h3-6,9-11,17H,7-8H2,1-2H3.
What are the key properties of 7-(6-methoxy-3-pyridinyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline?
7-(6-methoxy-3-pyridinyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 254.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-3-pyridinyl)-1-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 58416402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).