2-(2-amino-4-oxofuran-3-yl)-7-ethyl-1,3-dihydroisoquinolin-4-one

C15H16N2O3 — CID 71066975

IUPAC2-(2-amino-4-oxofuran-3-yl)-7-ethyl-1,3-dihydroisoquinolin-4-one
SMILESCCc1ccc2c(c1)CN(C1=C(N)OCC1=O)CC2=O
InChIInChI=1S/C15H16N2O3/c1-2-9-3-4-11-10(5-9)6-17(7-12(11)18)14-13(19)8-20-15(14)16/h3-5H,2,6-8,16H2,1H3
InChIKeyMYBHCXPIMFYKHW-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.97
Rot. Bonds2

About 2-(2-amino-4-oxofuran-3-yl)-7-ethyl-1,3-dihydroisoquinolin-4-one

2-(2-amino-4-oxofuran-3-yl)-7-ethyl-1,3-dihydroisoquinolin-4-one (PubChem CID 71066975) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(2-amino-4-oxofuran-3-yl)-7-ethyl-1,3-dihydroisoquinolin-4-one.

Molecular Properties

Compound Name2-(2-amino-4-oxofuran-3-yl)-7-ethyl-1,3-dihydroisoquinolin-4-one
PubChem CID71066975
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-(2-amino-4-oxofuran-3-yl)-7-ethyl-1,3-dihydroisoquinolin-4-one
SMILESCCc1ccc2c(c1)CN(C1=C(N)OCC1=O)CC2=O
InChIInChI=1S/C15H16N2O3/c1-2-9-3-4-11-10(5-9)6-17(7-12(11)18)14-13(19)8-20-15(14)16/h3-5H,2,6-8,16H2,1H3
InChIKeyMYBHCXPIMFYKHW-UHFFFAOYSA-N
XLogP0.97
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-oxofuran-3-yl)-7-ethyl-1,3-dihydroisoquinolin-4-one?
The IUPAC name of 2-(2-amino-4-oxofuran-3-yl)-7-ethyl-1,3-dihydroisoquinolin-4-one (CID 71066975) is 2-(2-amino-4-oxofuran-3-yl)-7-ethyl-1,3-dihydroisoquinolin-4-one.
What is the SMILES notation for 2-(2-amino-4-oxofuran-3-yl)-7-ethyl-1,3-dihydroisoquinolin-4-one?
The canonical SMILES for 2-(2-amino-4-oxofuran-3-yl)-7-ethyl-1,3-dihydroisoquinolin-4-one is CCc1ccc2c(c1)CN(C1=C(N)OCC1=O)CC2=O.
What is the InChIKey of 2-(2-amino-4-oxofuran-3-yl)-7-ethyl-1,3-dihydroisoquinolin-4-one?
The InChIKey is MYBHCXPIMFYKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-9-3-4-11-10(5-9)6-17(7-12(11)18)14-13(19)8-20-15(14)16/h3-5H,2,6-8,16H2,1H3.
What are the key properties of 2-(2-amino-4-oxofuran-3-yl)-7-ethyl-1,3-dihydroisoquinolin-4-one?
2-(2-amino-4-oxofuran-3-yl)-7-ethyl-1,3-dihydroisoquinolin-4-one has a molecular weight of 272.30 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-oxofuran-3-yl)-7-ethyl-1,3-dihydroisoquinolin-4-one is sourced from PubChem (CID 71066975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).