4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one

C23H24N2O2 — CID 58042745

IUPAC4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1CCc1ccc2c(c1)CCNC2
InChIInChI=1S/C23H24N2O2/c26-23-15-22(27-17-19-4-2-1-3-5-19)10-13-25(23)12-9-18-6-7-21-16-24-11-8-20(21)14-18/h1-7,10,13-15,24H,8-9,11-12,16-17H2
InChIKeyZTEMSEJISFNBEC-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.32
Rot. Bonds6

About 4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one

4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one (PubChem CID 58042745) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one
PubChem CID58042745
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one
SMILESO=c1cc(OCc2ccccc2)ccn1CCc1ccc2c(c1)CCNC2
InChIInChI=1S/C23H24N2O2/c26-23-15-22(27-17-19-4-2-1-3-5-19)10-13-25(23)12-9-18-6-7-21-16-24-11-8-20(21)14-18/h1-7,10,13-15,24H,8-9,11-12,16-17H2
InChIKeyZTEMSEJISFNBEC-UHFFFAOYSA-N
XLogP3.32
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-fluorophenyl)methoxy]-1-[2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]pyridin-2-one
CID 58042761
4-(pyridin-2-ylmethoxy)-1-[2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]pyridin-2-one
CID 58042699
1-[2-(4-ethylphenyl)ethyl]-4-phenylmethoxypyridin-2-one
CID 91337677
1-[2-hydroxy-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethyl]-4-phenylmethoxypyridin-2-one
CID 58042710
1-[2-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 58042869
6-[2-(6-phenylmethoxypyridazin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 59439140
1-[2-(7,8-didehydro-5,6,9,10-tetrahydrobenzo[8]annulen-3-yl)-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 143632818
2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]-5-phenylmethoxypyridazin-3-one
CID 58042826
4-phenylmethoxy-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
CID 22050640
7-[2-(6-phenylmethoxypyridazin-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 24986848
1-[2-[4-(hydroxymethyl)phenyl]ethyl]-4-(pyridin-3-ylmethoxy)pyridin-2-one
CID 67007472
4-[(4-fluorophenyl)methoxy]-1-[(4-fluorophenyl)methyl]pyridin-2-one
CID 22050569

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one?
The IUPAC name of 4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one (CID 58042745) is 4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one?
The canonical SMILES for 4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one is O=c1cc(OCc2ccccc2)ccn1CCc1ccc2c(c1)CCNC2.
What is the InChIKey of 4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one?
The InChIKey is ZTEMSEJISFNBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-23-15-22(27-17-19-4-2-1-3-5-19)10-13-25(23)12-9-18-6-7-21-16-24-11-8-20(21)14-18/h1-7,10,13-15,24H,8-9,11-12,16-17H2.
What are the key properties of 4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one?
4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one has a molecular weight of 360.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-1-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 58042745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).