7-[2-[4-(pyridin-2-ylmethoxy)-2H-pyridin-1-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline

C22H25N3O — CID 141198140

IUPAC7-[2-[4-(pyridin-2-ylmethoxy)-2H-pyridin-1-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline
SMILESC1=CN(CCc2ccc3c(c2)CNCC3)CC=C1OCc1ccccn1
InChIInChI=1S/C22H25N3O/c1-2-10-24-21(3-1)17-26-22-8-13-25(14-9-22)12-7-18-4-5-19-6-11-23-16-20(19)15-18/h1-5,8-10,13,15,23H,6-7,11-12,14,16-17H2
InChIKeyJTGNJVUUOLQSBF-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.20
Rot. Bonds6

About 7-[2-[4-(pyridin-2-ylmethoxy)-2H-pyridin-1-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline

7-[2-[4-(pyridin-2-ylmethoxy)-2H-pyridin-1-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 141198140) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 7-[2-[4-(pyridin-2-ylmethoxy)-2H-pyridin-1-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-[2-[4-(pyridin-2-ylmethoxy)-2H-pyridin-1-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID141198140
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name7-[2-[4-(pyridin-2-ylmethoxy)-2H-pyridin-1-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline
SMILESC1=CN(CCc2ccc3c(c2)CNCC3)CC=C1OCc1ccccn1
InChIInChI=1S/C22H25N3O/c1-2-10-24-21(3-1)17-26-22-8-13-25(14-9-22)12-7-18-4-5-19-6-11-23-16-20(19)15-18/h1-5,8-10,13,15,23H,6-7,11-12,14,16-17H2
InChIKeyJTGNJVUUOLQSBF-UHFFFAOYSA-N
XLogP3.20
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[2-[4-(pyridin-2-ylmethoxy)-2H-pyridin-1-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

4-(pyridin-2-ylmethoxy)-1-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]pyridin-2-one
CID 58042699
7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104784
7-[2-(6-phenylmethoxypyridazin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 24986848
2-[2-(4-propyl-2H-pyridin-1-yl)ethyl]pyridine
CID 70607902
2-[(5-methylcyclohepta-1,4,6-trien-1-yl)oxymethyl]pyridine
CID 142207288
N-(pyridin-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 79015224
2-[2-(2H-pyridin-1-yl)ethyl]pyridine
CID 70473829
4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one
CID 58042745
6-[2-(6-phenylmethoxypyridazin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 59439140
6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104815
6-[(2-fluorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104179
7-[(4-methylphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104157

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(pyridin-2-ylmethoxy)-2H-pyridin-1-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-[2-[4-(pyridin-2-ylmethoxy)-2H-pyridin-1-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline (CID 141198140) is 7-[2-[4-(pyridin-2-ylmethoxy)-2H-pyridin-1-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-[2-[4-(pyridin-2-ylmethoxy)-2H-pyridin-1-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-[2-[4-(pyridin-2-ylmethoxy)-2H-pyridin-1-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline is C1=CN(CCc2ccc3c(c2)CNCC3)CC=C1OCc1ccccn1.
What is the InChIKey of 7-[2-[4-(pyridin-2-ylmethoxy)-2H-pyridin-1-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is JTGNJVUUOLQSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-2-10-24-21(3-1)17-26-22-8-13-25(14-9-22)12-7-18-4-5-19-6-11-23-16-20(19)15-18/h1-5,8-10,13,15,23H,6-7,11-12,14,16-17H2.
What are the key properties of 7-[2-[4-(pyridin-2-ylmethoxy)-2H-pyridin-1-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline?
7-[2-[4-(pyridin-2-ylmethoxy)-2H-pyridin-1-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 347.46 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(pyridin-2-ylmethoxy)-2H-pyridin-1-yl]ethyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 141198140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).