6-methoxy-1-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline

C16H18N2O — CID 3471481

IUPAC6-methoxy-1-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)CCNC2c1ccc(C)cn1
InChIInChI=1S/C16H18N2O/c1-11-3-6-15(18-10-11)16-14-5-4-13(19-2)9-12(14)7-8-17-16/h3-6,9-10,16-17H,7-8H2,1-2H3
InChIKeyYWJQTKPGVRDNKF-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.63
Rot. Bonds2

About 6-methoxy-1-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline

6-methoxy-1-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 3471481) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-methoxy-1-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-methoxy-1-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID3471481
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name6-methoxy-1-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)CCNC2c1ccc(C)cn1
InChIInChI=1S/C16H18N2O/c1-11-3-6-15(18-10-11)16-14-5-4-13(19-2)9-12(14)7-8-17-16/h3-6,9-10,16-17H,7-8H2,1-2H3
InChIKeyYWJQTKPGVRDNKF-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
CID 4317391
6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 4019885
6-methoxy-1-(2,3,4-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 106543754
6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-ol;hydrochloride
CID 90423697
1-(5-chloro-2-methoxy-3-methylphenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3965656
6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
CID 102340504
1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106777888
1-(2,5-dimethylphenyl)-6-ethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3997787
6-ethoxy-1-(2-methoxy-3,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3894099
7-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 106543720
1-(5-ethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 3271184
1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3521561

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-methoxy-1-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline (CID 3471481) is 6-methoxy-1-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-methoxy-1-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-methoxy-1-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline is COc1ccc2c(c1)CCNC2c1ccc(C)cn1.
What is the InChIKey of 6-methoxy-1-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is YWJQTKPGVRDNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-3-6-15(18-10-11)16-14-5-4-13(19-2)9-12(14)7-8-17-16/h3-6,9-10,16-17H,7-8H2,1-2H3.
What are the key properties of 6-methoxy-1-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline?
6-methoxy-1-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 254.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 3471481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).