7-[2-(6-phenylmethoxypyridazin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline

C22H23N3O — CID 24986848

IUPAC7-[2-(6-phenylmethoxypyridazin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc(COc2ccc(CCc3ccc4c(c3)CNCC4)nn2)cc1
InChIInChI=1S/C22H23N3O/c1-2-4-18(5-3-1)16-26-22-11-10-21(24-25-22)9-7-17-6-8-19-12-13-23-15-20(19)14-17/h1-6,8,10-11,14,23H,7,9,12-13,15-16H2
InChIKeyQJUYYHKUMVSLQY-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.49
Rot. Bonds6

About 7-[2-(6-phenylmethoxypyridazin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline

7-[2-(6-phenylmethoxypyridazin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 24986848) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 7-[2-(6-phenylmethoxypyridazin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-[2-(6-phenylmethoxypyridazin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID24986848
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name7-[2-(6-phenylmethoxypyridazin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc(COc2ccc(CCc3ccc4c(c3)CNCC4)nn2)cc1
InChIInChI=1S/C22H23N3O/c1-2-4-18(5-3-1)16-26-22-11-10-21(24-25-22)9-7-17-6-8-19-12-13-23-15-20(19)14-17/h1-6,8,10-11,14,23H,7,9,12-13,15-16H2
InChIKeyQJUYYHKUMVSLQY-UHFFFAOYSA-N
XLogP3.49
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(6-phenylmethoxypyridazin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-[2-(6-phenylmethoxypyridazin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline (CID 24986848) is 7-[2-(6-phenylmethoxypyridazin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-[2-(6-phenylmethoxypyridazin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-[2-(6-phenylmethoxypyridazin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline is c1ccc(COc2ccc(CCc3ccc4c(c3)CNCC4)nn2)cc1.
What is the InChIKey of 7-[2-(6-phenylmethoxypyridazin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QJUYYHKUMVSLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-2-4-18(5-3-1)16-26-22-11-10-21(24-25-22)9-7-17-6-8-19-12-13-23-15-20(19)14-17/h1-6,8,10-11,14,23H,7,9,12-13,15-16H2.
What are the key properties of 7-[2-(6-phenylmethoxypyridazin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
7-[2-(6-phenylmethoxypyridazin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 345.45 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(6-phenylmethoxypyridazin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 24986848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).