7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one

C12H7F3N2O — CID 15134080

IUPAC7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2n2cccc12
InChIInChI=1S/C12H7F3N2O/c13-12(14,15)7-3-4-9-8(6-7)16-11(18)10-2-1-5-17(9)10/h1-6H,(H,16,18)
InChIKeyXVCOEJNTZAEHRM-UHFFFAOYSA-N
MW252.20 g/mol
LogP2.80
Rot. Bonds

About 7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one

7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one (PubChem CID 15134080) has the molecular formula C12H7F3N2O and a molecular weight of 252.20 g/mol. Its IUPAC name is 7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
PubChem CID15134080
Molecular FormulaC12H7F3N2O
Molecular Weight252.20 g/mol
Exact Mass252.05
IUPAC Name7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2n2cccc12
InChIInChI=1S/C12H7F3N2O/c13-12(14,15)7-3-4-9-8(6-7)16-11(18)10-2-1-5-17(9)10/h1-6H,(H,16,18)
InChIKeyXVCOEJNTZAEHRM-UHFFFAOYSA-N
XLogP2.80
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The IUPAC name of 7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one (CID 15134080) is 7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one.
What is the SMILES notation for 7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The canonical SMILES for 7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one is O=c1[nH]c2cc(C(F)(F)F)ccc2n2cccc12.
What is the InChIKey of 7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
The InChIKey is XVCOEJNTZAEHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O/c13-12(14,15)7-3-4-9-8(6-7)16-11(18)10-2-1-5-17(9)10/h1-6H,(H,16,18).
What are the key properties of 7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one?
7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one has a molecular weight of 252.20 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-5H-pyrrolo[1,2-a]quinoxalin-4-one is sourced from PubChem (CID 15134080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).