1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]ethanone

C23H23N3O — CID 86908876

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]ethanone
SMILESO=C(CNC(c1ccccc1)c1ccccn1)N1CCc2ccccc2C1
InChIInChI=1S/C23H23N3O/c27-22(26-15-13-18-8-4-5-11-20(18)17-26)16-25-23(19-9-2-1-3-10-19)21-12-6-7-14-24-21/h1-12,14,23,25H,13,15-17H2
InChIKeyZNUFHUJKHRZQSY-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.35
Rot. Bonds5

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]ethanone

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]ethanone (PubChem CID 86908876) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]ethanone
PubChem CID86908876
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]ethanone
SMILESO=C(CNC(c1ccccc1)c1ccccn1)N1CCc2ccccc2C1
InChIInChI=1S/C23H23N3O/c27-22(26-15-13-18-8-4-5-11-20(18)17-26)16-25-23(19-9-2-1-3-10-19)21-12-6-7-14-24-21/h1-12,14,23,25H,13,15-17H2
InChIKeyZNUFHUJKHRZQSY-UHFFFAOYSA-N
XLogP3.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]ethanone with MolForge

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Related Compounds

2-(benzhydrylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 8005837
(2R)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]propanoic acid
CID 83194342
ethyl 2-[[phenyl(pyridin-2-yl)methyl]amino]acetate
CID 60681847
N-(1-acetylpiperidin-4-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 86911597
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 16769566
N-[(1R)-1-phenylethyl]-2-[[(R)-phenyl(pyridin-2-yl)methyl]amino]acetamide
CID 32725839
N-benzhydryl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
CID 108508045
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 8598297
3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]propanoic acid
CID 43466454
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-phenylacetamide
CID 2567857
2-[[(S)-phenyl(pyridin-2-yl)methyl]amino]-N-propylacetamide
CID 34156353
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 109023313

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]ethanone?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]ethanone (CID 86908876) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]ethanone?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]ethanone is O=C(CNC(c1ccccc1)c1ccccn1)N1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]ethanone?
The InChIKey is ZNUFHUJKHRZQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c27-22(26-15-13-18-8-4-5-11-20(18)17-26)16-25-23(19-9-2-1-3-10-19)21-12-6-7-14-24-21/h1-12,14,23,25H,13,15-17H2.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]ethanone?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]ethanone has a molecular weight of 357.46 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[phenyl(pyridin-2-yl)methyl]amino]ethanone is sourced from PubChem (CID 86908876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).