2-ethyl-5-[(4-methylphenyl)methoxy]-3,4-dihydroisoquinolin-1-one

C19H21NO2 — CID 2151947

IUPAC2-ethyl-5-[(4-methylphenyl)methoxy]-3,4-dihydroisoquinolin-1-one
SMILESCCN1CCc2c(OCc3ccc(C)cc3)cccc2C1=O
InChIInChI=1S/C19H21NO2/c1-3-20-12-11-16-17(19(20)21)5-4-6-18(16)22-13-15-9-7-14(2)8-10-15/h4-10H,3,11-13H2,1-2H3
InChIKeyOAIQTOPWFWCVSE-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.59
Rot. Bonds4

About 2-ethyl-5-[(4-methylphenyl)methoxy]-3,4-dihydroisoquinolin-1-one

2-ethyl-5-[(4-methylphenyl)methoxy]-3,4-dihydroisoquinolin-1-one (PubChem CID 2151947) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-ethyl-5-[(4-methylphenyl)methoxy]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-ethyl-5-[(4-methylphenyl)methoxy]-3,4-dihydroisoquinolin-1-one
PubChem CID2151947
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name2-ethyl-5-[(4-methylphenyl)methoxy]-3,4-dihydroisoquinolin-1-one
SMILESCCN1CCc2c(OCc3ccc(C)cc3)cccc2C1=O
InChIInChI=1S/C19H21NO2/c1-3-20-12-11-16-17(19(20)21)5-4-6-18(16)22-13-15-9-7-14(2)8-10-15/h4-10H,3,11-13H2,1-2H3
InChIKeyOAIQTOPWFWCVSE-UHFFFAOYSA-N
XLogP3.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(4-methylphenyl)methoxy]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-ethyl-5-[(4-methylphenyl)methoxy]-3,4-dihydroisoquinolin-1-one (CID 2151947) is 2-ethyl-5-[(4-methylphenyl)methoxy]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-ethyl-5-[(4-methylphenyl)methoxy]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-ethyl-5-[(4-methylphenyl)methoxy]-3,4-dihydroisoquinolin-1-one is CCN1CCc2c(OCc3ccc(C)cc3)cccc2C1=O.
What is the InChIKey of 2-ethyl-5-[(4-methylphenyl)methoxy]-3,4-dihydroisoquinolin-1-one?
The InChIKey is OAIQTOPWFWCVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-20-12-11-16-17(19(20)21)5-4-6-18(16)22-13-15-9-7-14(2)8-10-15/h4-10H,3,11-13H2,1-2H3.
What are the key properties of 2-ethyl-5-[(4-methylphenyl)methoxy]-3,4-dihydroisoquinolin-1-one?
2-ethyl-5-[(4-methylphenyl)methoxy]-3,4-dihydroisoquinolin-1-one has a molecular weight of 295.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(4-methylphenyl)methoxy]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 2151947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).