7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one

C10H7F3N2O2 — CID 11806856

IUPAC7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(C(F)(F)F)c(=O)[nH]c2c1
InChIInChI=1S/C10H7F3N2O2/c1-17-5-2-3-6-7(4-5)15-9(16)8(14-6)10(11,12)13/h2-4H,1H3,(H,15,16)
InChIKeyOIXGQCZTGBKEGV-UHFFFAOYSA-N
MW244.17 g/mol
LogP1.95
Rot. Bonds1

About 7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one

7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one (PubChem CID 11806856) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one
PubChem CID11806856
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one
SMILESCOc1ccc2nc(C(F)(F)F)c(=O)[nH]c2c1
InChIInChI=1S/C10H7F3N2O2/c1-17-5-2-3-6-7(4-5)15-9(16)8(14-6)10(11,12)13/h2-4H,1H3,(H,15,16)
InChIKeyOIXGQCZTGBKEGV-UHFFFAOYSA-N
XLogP1.95
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one?
The IUPAC name of 7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one (CID 11806856) is 7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one.
What is the SMILES notation for 7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one?
The canonical SMILES for 7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one is COc1ccc2nc(C(F)(F)F)c(=O)[nH]c2c1.
What is the InChIKey of 7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one?
The InChIKey is OIXGQCZTGBKEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c1-17-5-2-3-6-7(4-5)15-9(16)8(14-6)10(11,12)13/h2-4H,1H3,(H,15,16).
What are the key properties of 7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one?
7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one has a molecular weight of 244.17 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(trifluoromethyl)-1H-quinoxalin-2-one is sourced from PubChem (CID 11806856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).