6-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one

C19H19NO2 — CID 59138906

IUPAC6-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one
SMILESC=Cc1ccc2c(c1)CCN(Cc1ccc(OC)cc1)C2=O
InChIInChI=1S/C19H19NO2/c1-3-14-6-9-18-16(12-14)10-11-20(19(18)21)13-15-4-7-17(22-2)8-5-15/h3-9,12H,1,10-11,13H2,2H3
InChIKeyGYFRAGKFZWNDKO-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.54
Rot. Bonds4

About 6-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one

6-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one (PubChem CID 59138906) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name6-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one
PubChem CID59138906
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name6-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one
SMILESC=Cc1ccc2c(c1)CCN(Cc1ccc(OC)cc1)C2=O
InChIInChI=1S/C19H19NO2/c1-3-14-6-9-18-16(12-14)10-11-20(19(18)21)13-15-4-7-17(22-2)8-5-15/h3-9,12H,1,10-11,13H2,2H3
InChIKeyGYFRAGKFZWNDKO-UHFFFAOYSA-N
XLogP3.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 6-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one (CID 59138906) is 6-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 6-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 6-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one is C=Cc1ccc2c(c1)CCN(Cc1ccc(OC)cc1)C2=O.
What is the InChIKey of 6-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one?
The InChIKey is GYFRAGKFZWNDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-3-14-6-9-18-16(12-14)10-11-20(19(18)21)13-15-4-7-17(22-2)8-5-15/h3-9,12H,1,10-11,13H2,2H3.
What are the key properties of 6-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one?
6-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 293.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 59138906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).