7-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one

C9H9FN2O — CID 15337296

IUPAC7-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCC1Nc2ccc(F)cc2NC1=O
InChIInChI=1S/C9H9FN2O/c1-5-9(13)12-8-4-6(10)2-3-7(8)11-5/h2-5,11H,1H3,(H,12,13)
InChIKeyZXGDQNLIAUXOLE-UHFFFAOYSA-N
MW180.18 g/mol
LogP1.58
Rot. Bonds

About 7-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one

7-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 15337296) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is 7-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID15337296
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name7-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCC1Nc2ccc(F)cc2NC1=O
InChIInChI=1S/C9H9FN2O/c1-5-9(13)12-8-4-6(10)2-3-7(8)11-5/h2-5,11H,1H3,(H,12,13)
InChIKeyZXGDQNLIAUXOLE-UHFFFAOYSA-N
XLogP1.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 7-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one (CID 15337296) is 7-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 7-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 7-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one is CC1Nc2ccc(F)cc2NC1=O.
What is the InChIKey of 7-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is ZXGDQNLIAUXOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O/c1-5-9(13)12-8-4-6(10)2-3-7(8)11-5/h2-5,11H,1H3,(H,12,13).
What are the key properties of 7-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
7-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 180.18 g/mol, XLogP of 1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 15337296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).