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

C12H15FN2O — CID 79290992

IUPAC3-butyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one
SMILESCCCCC1Nc2ccc(F)cc2NC1=O
InChIInChI=1S/C12H15FN2O/c1-2-3-4-10-12(16)15-11-7-8(13)5-6-9(11)14-10/h5-7,10,14H,2-4H2,1H3,(H,15,16)
InChIKeyRWOWNFUAGUCUTQ-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.75
Rot. Bonds3

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

3-butyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 79290992) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 3-butyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-butyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID79290992
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name3-butyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one
SMILESCCCCC1Nc2ccc(F)cc2NC1=O
InChIInChI=1S/C12H15FN2O/c1-2-3-4-10-12(16)15-11-7-8(13)5-6-9(11)14-10/h5-7,10,14H,2-4H2,1H3,(H,15,16)
InChIKeyRWOWNFUAGUCUTQ-UHFFFAOYSA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 3-butyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one (CID 79290992) is 3-butyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 3-butyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 3-butyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one is CCCCC1Nc2ccc(F)cc2NC1=O.
What is the InChIKey of 3-butyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is RWOWNFUAGUCUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-2-3-4-10-12(16)15-11-7-8(13)5-6-9(11)14-10/h5-7,10,14H,2-4H2,1H3,(H,15,16).
What are the key properties of 3-butyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one?
3-butyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 222.26 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-7-fluoro-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 79290992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).