2-ethyl-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one

C18H19NO2 — CID 2151945

IUPAC2-ethyl-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one
SMILESCCN1CCc2c(OCc3ccccc3)cccc2C1=O
InChIInChI=1S/C18H19NO2/c1-2-19-12-11-15-16(18(19)20)9-6-10-17(15)21-13-14-7-4-3-5-8-14/h3-10H,2,11-13H2,1H3
InChIKeyYSOUPYIPQYDTSL-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.28
Rot. Bonds4

About 2-ethyl-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one

2-ethyl-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one (PubChem CID 2151945) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-ethyl-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-ethyl-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one
PubChem CID2151945
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-ethyl-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one
SMILESCCN1CCc2c(OCc3ccccc3)cccc2C1=O
InChIInChI=1S/C18H19NO2/c1-2-19-12-11-15-16(18(19)20)9-6-10-17(15)21-13-14-7-4-3-5-8-14/h3-10H,2,11-13H2,1H3
InChIKeyYSOUPYIPQYDTSL-UHFFFAOYSA-N
XLogP3.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Ebalzotan
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Snc 80
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CID 9948349
2-(2'-(Dimethylamino)ethyl)-1,2-dihydro-7-ethoxydibenz(de,h)isoquinoline-1,3-dione
CID 10522660
1-((3-Benzyl-3-methyl-2,3-dihydro-1-benzofuran-6-yl)carbonyl)piperidine
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2-(4-Methoxy-benzyl)-4H-isoquinoline-1,3-dione
CID 1475552
5-(2-oxo-2-phenylethoxy)isoquinolin-1(2H)-one
CID 25015515
(4-((4-Ethoxyphenoxy)methyl)phenyl)(3-methylpiperidin-1-yl)methanone
CID 2942250
(6-(3-(Piperidin-1-yl)propoxy)naphthalen-2-yl)(pyrrolidin-1-yl)methanone
CID 11501506
(R)-3-[Isopropyl(propyl)amino]-3,4-dihydro-2H-1-benzopyran-5-carboxamide
CID 10084845
15-[2-(Dimethylamino)ethyl]-10-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 10090039

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-ethyl-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one (CID 2151945) is 2-ethyl-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-ethyl-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-ethyl-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one is CCN1CCc2c(OCc3ccccc3)cccc2C1=O.
What is the InChIKey of 2-ethyl-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one?
The InChIKey is YSOUPYIPQYDTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-2-19-12-11-15-16(18(19)20)9-6-10-17(15)21-13-14-7-4-3-5-8-14/h3-10H,2,11-13H2,1H3.
What are the key properties of 2-ethyl-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one?
2-ethyl-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one has a molecular weight of 281.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-phenylmethoxy-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 2151945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).