7-bromo-5-fluoro-1-propan-2-ylquinoxalin-2-one;ethane

C13H16BrFN2O — CID 166121068

IUPAC7-bromo-5-fluoro-1-propan-2-ylquinoxalin-2-one;ethane
SMILESCC.CC(C)n1c(=O)cnc2c(F)cc(Br)cc21
InChIInChI=1S/C11H10BrFN2O.C2H6/c1-6(2)15-9-4-7(12)3-8(13)11(9)14-5-10(15)16;1-2/h3-6H,1-2H3;1-2H3
InChIKeyUTNJWLCBQMTBRW-UHFFFAOYSA-N
MW315.19 g/mol
LogP3.91
Rot. Bonds1

About 7-bromo-5-fluoro-1-propan-2-ylquinoxalin-2-one;ethane

7-bromo-5-fluoro-1-propan-2-ylquinoxalin-2-one;ethane (PubChem CID 166121068) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is 7-bromo-5-fluoro-1-propan-2-ylquinoxalin-2-one;ethane.

Molecular Properties

Compound Name7-bromo-5-fluoro-1-propan-2-ylquinoxalin-2-one;ethane
PubChem CID166121068
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC Name7-bromo-5-fluoro-1-propan-2-ylquinoxalin-2-one;ethane
SMILESCC.CC(C)n1c(=O)cnc2c(F)cc(Br)cc21
InChIInChI=1S/C11H10BrFN2O.C2H6/c1-6(2)15-9-4-7(12)3-8(13)11(9)14-5-10(15)16;1-2/h3-6H,1-2H3;1-2H3
InChIKeyUTNJWLCBQMTBRW-UHFFFAOYSA-N
XLogP3.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-1-propan-2-ylquinoxalin-2-one;ethane?
The IUPAC name of 7-bromo-5-fluoro-1-propan-2-ylquinoxalin-2-one;ethane (CID 166121068) is 7-bromo-5-fluoro-1-propan-2-ylquinoxalin-2-one;ethane.
What is the SMILES notation for 7-bromo-5-fluoro-1-propan-2-ylquinoxalin-2-one;ethane?
The canonical SMILES for 7-bromo-5-fluoro-1-propan-2-ylquinoxalin-2-one;ethane is CC.CC(C)n1c(=O)cnc2c(F)cc(Br)cc21.
What is the InChIKey of 7-bromo-5-fluoro-1-propan-2-ylquinoxalin-2-one;ethane?
The InChIKey is UTNJWLCBQMTBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O.C2H6/c1-6(2)15-9-4-7(12)3-8(13)11(9)14-5-10(15)16;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of 7-bromo-5-fluoro-1-propan-2-ylquinoxalin-2-one;ethane?
7-bromo-5-fluoro-1-propan-2-ylquinoxalin-2-one;ethane has a molecular weight of 315.19 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-1-propan-2-ylquinoxalin-2-one;ethane is sourced from PubChem (CID 166121068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).