1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(5-fluoro-2-oxo-1H-pyridin-3-yl)quinoxalin-2-one

C21H21FN4O2 — CID 144564284

IUPAC1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(5-fluoro-2-oxo-1H-pyridin-3-yl)quinoxalin-2-one
SMILESO=c1[nH]cc(F)cc1-c1nc2ccccc2n(C2CC3CCCC(C2)N3)c1=O
InChIInChI=1S/C21H21FN4O2/c22-12-8-16(20(27)23-11-12)19-21(28)26(18-7-2-1-6-17(18)25-19)15-9-13-4-3-5-14(10-15)24-13/h1-2,6-8,11,13-15,24H,3-5,9-10H2,(H,23,27)
InChIKeyDVRQBRCAYDSNPD-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.74
Rot. Bonds2

About 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(5-fluoro-2-oxo-1H-pyridin-3-yl)quinoxalin-2-one

1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(5-fluoro-2-oxo-1H-pyridin-3-yl)quinoxalin-2-one (PubChem CID 144564284) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(5-fluoro-2-oxo-1H-pyridin-3-yl)quinoxalin-2-one.

Molecular Properties

Compound Name1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(5-fluoro-2-oxo-1H-pyridin-3-yl)quinoxalin-2-one
PubChem CID144564284
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(5-fluoro-2-oxo-1H-pyridin-3-yl)quinoxalin-2-one
SMILESO=c1[nH]cc(F)cc1-c1nc2ccccc2n(C2CC3CCCC(C2)N3)c1=O
InChIInChI=1S/C21H21FN4O2/c22-12-8-16(20(27)23-11-12)19-21(28)26(18-7-2-1-6-17(18)25-19)15-9-13-4-3-5-14(10-15)24-13/h1-2,6-8,11,13-15,24H,3-5,9-10H2,(H,23,27)
InChIKeyDVRQBRCAYDSNPD-UHFFFAOYSA-N
XLogP2.74
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(5-fluoro-2-oxo-1H-pyridin-3-yl)quinoxalin-2-one?
The IUPAC name of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(5-fluoro-2-oxo-1H-pyridin-3-yl)quinoxalin-2-one (CID 144564284) is 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(5-fluoro-2-oxo-1H-pyridin-3-yl)quinoxalin-2-one.
What is the SMILES notation for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(5-fluoro-2-oxo-1H-pyridin-3-yl)quinoxalin-2-one?
The canonical SMILES for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(5-fluoro-2-oxo-1H-pyridin-3-yl)quinoxalin-2-one is O=c1[nH]cc(F)cc1-c1nc2ccccc2n(C2CC3CCCC(C2)N3)c1=O.
What is the InChIKey of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(5-fluoro-2-oxo-1H-pyridin-3-yl)quinoxalin-2-one?
The InChIKey is DVRQBRCAYDSNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-12-8-16(20(27)23-11-12)19-21(28)26(18-7-2-1-6-17(18)25-19)15-9-13-4-3-5-14(10-15)24-13/h1-2,6-8,11,13-15,24H,3-5,9-10H2,(H,23,27).
What are the key properties of 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(5-fluoro-2-oxo-1H-pyridin-3-yl)quinoxalin-2-one?
1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(5-fluoro-2-oxo-1H-pyridin-3-yl)quinoxalin-2-one has a molecular weight of 380.42 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-azabicyclo[3.3.1]nonan-3-yl)-3-(5-fluoro-2-oxo-1H-pyridin-3-yl)quinoxalin-2-one is sourced from PubChem (CID 144564284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).