7-fluoro-6-isoquinolin-4-yl-3,4-dihydro-1H-quinoxalin-2-one

C17H12FN3O — CID 67198838

IUPAC7-fluoro-6-isoquinolin-4-yl-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1CNc2cc(-c3cncc4ccccc34)c(F)cc2N1
InChIInChI=1S/C17H12FN3O/c18-14-6-16-15(20-9-17(22)21-16)5-12(14)13-8-19-7-10-3-1-2-4-11(10)13/h1-8,20H,9H2,(H,21,22)
InChIKeyOEOIOLNEMNWUII-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.40
Rot. Bonds1

About 7-fluoro-6-isoquinolin-4-yl-3,4-dihydro-1H-quinoxalin-2-one

7-fluoro-6-isoquinolin-4-yl-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 67198838) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is 7-fluoro-6-isoquinolin-4-yl-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-fluoro-6-isoquinolin-4-yl-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID67198838
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC Name7-fluoro-6-isoquinolin-4-yl-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1CNc2cc(-c3cncc4ccccc34)c(F)cc2N1
InChIInChI=1S/C17H12FN3O/c18-14-6-16-15(20-9-17(22)21-16)5-12(14)13-8-19-7-10-3-1-2-4-11(10)13/h1-8,20H,9H2,(H,21,22)
InChIKeyOEOIOLNEMNWUII-UHFFFAOYSA-N
XLogP3.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-isoquinolin-4-yl-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 7-fluoro-6-isoquinolin-4-yl-3,4-dihydro-1H-quinoxalin-2-one (CID 67198838) is 7-fluoro-6-isoquinolin-4-yl-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 7-fluoro-6-isoquinolin-4-yl-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 7-fluoro-6-isoquinolin-4-yl-3,4-dihydro-1H-quinoxalin-2-one is O=C1CNc2cc(-c3cncc4ccccc34)c(F)cc2N1.
What is the InChIKey of 7-fluoro-6-isoquinolin-4-yl-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is OEOIOLNEMNWUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O/c18-14-6-16-15(20-9-17(22)21-16)5-12(14)13-8-19-7-10-3-1-2-4-11(10)13/h1-8,20H,9H2,(H,21,22).
What are the key properties of 7-fluoro-6-isoquinolin-4-yl-3,4-dihydro-1H-quinoxalin-2-one?
7-fluoro-6-isoquinolin-4-yl-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 293.30 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-isoquinolin-4-yl-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 67198838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).