5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one

C17H15NO2 — CID 176510971

IUPAC5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2c1cccc2-c1cccc2c1CCO2
InChIInChI=1S/C17H15NO2/c19-17-15-5-1-3-11(13(15)7-9-18-17)12-4-2-6-16-14(12)8-10-20-16/h1-6H,7-10H2,(H,18,19)
InChIKeyNOFSKWFDHZCYPW-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.57
Rot. Bonds1

About 5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one

5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 176510971) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID176510971
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one
SMILESO=C1NCCc2c1cccc2-c1cccc2c1CCO2
InChIInChI=1S/C17H15NO2/c19-17-15-5-1-3-11(13(15)7-9-18-17)12-4-2-6-16-14(12)8-10-20-16/h1-6H,7-10H2,(H,18,19)
InChIKeyNOFSKWFDHZCYPW-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,8,11,22,25-hexaoxa-19,28-diazatricyclo[28.4.0.012,17]tetratriaconta-1(34),12,14,16,30,32-hexaene-18,29-dione
CID 10505622
2,5,8,19,22-pentaoxa-16,25-diazatricyclo[25.4.0.09,14]hentriaconta-1(31),9,11,13,27,29-hexaene-15,26-dione
CID 100985413
5-[2-(2-hydroxy-2-methylpropyl)phenyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 167913292
2,5,8-trioxa-16,19,22-triazatricyclo[22.4.0.09,14]octacosa-1(28),9,11,13,24,26-hexaene-15,23-dione
CID 15209318
5-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-isoquinolin-1-one
CID 129046225
2-(9-oxo-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
CID 22266697
5-bromo-6-fluoro-3,4-dihydro-2H-isoquinolin-1-one
CID 130876453
3,23-dioxa-11,15-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4,6,8,17,19,21,25,27-nonaene-10,16-dione
CID 101014780
2,2-dimethyl-5-[[(1-oxo-3,4-dihydro-2H-isoquinolin-5-yl)amino]methylidene]-1,3-dioxane-4,6-dione
CID 168539108
(4E)-2,7-dioxa-15,19-diazatricyclo[19.4.0.08,13]pentacosa-1(25),4,8,10,12,21,23-heptaene-14,20-dione
CID 177446883
8-hydroxy-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 59403478
[3-(2,3-dihydro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117309097

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one (CID 176510971) is 5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one is O=C1NCCc2c1cccc2-c1cccc2c1CCO2.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is NOFSKWFDHZCYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-17-15-5-1-3-11(13(15)7-9-18-17)12-4-2-6-16-14(12)8-10-20-16/h1-6H,7-10H2,(H,18,19).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one?
5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 265.31 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-4-yl)-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 176510971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).