2,4-difluoro-6a,7,7a,8,9,10,11,11a-octahydro-5H-indolo[1,2-a]quinoxalin-6-one

C15H16F2N2O — CID 115510048

IUPAC2,4-difluoro-6a,7,7a,8,9,10,11,11a-octahydro-5H-indolo[1,2-a]quinoxalin-6-one
SMILESO=C1Nc2c(F)cc(F)cc2N2C1CC1CCCCC12
InChIInChI=1S/C15H16F2N2O/c16-9-6-10(17)14-12(7-9)19-11-4-2-1-3-8(11)5-13(19)15(20)18-14/h6-8,11,13H,1-5H2,(H,18,20)
InChIKeyUFOWHWHALUTNKP-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.05
Rot. Bonds

About 2,4-difluoro-6a,7,7a,8,9,10,11,11a-octahydro-5H-indolo[1,2-a]quinoxalin-6-one

2,4-difluoro-6a,7,7a,8,9,10,11,11a-octahydro-5H-indolo[1,2-a]quinoxalin-6-one (PubChem CID 115510048) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 2,4-difluoro-6a,7,7a,8,9,10,11,11a-octahydro-5H-indolo[1,2-a]quinoxalin-6-one.

Molecular Properties

Compound Name2,4-difluoro-6a,7,7a,8,9,10,11,11a-octahydro-5H-indolo[1,2-a]quinoxalin-6-one
PubChem CID115510048
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name2,4-difluoro-6a,7,7a,8,9,10,11,11a-octahydro-5H-indolo[1,2-a]quinoxalin-6-one
SMILESO=C1Nc2c(F)cc(F)cc2N2C1CC1CCCCC12
InChIInChI=1S/C15H16F2N2O/c16-9-6-10(17)14-12(7-9)19-11-4-2-1-3-8(11)5-13(19)15(20)18-14/h6-8,11,13H,1-5H2,(H,18,20)
InChIKeyUFOWHWHALUTNKP-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6a,7,7a,8,9,10,11,11a-octahydro-5H-indolo[1,2-a]quinoxalin-6-one?
The IUPAC name of 2,4-difluoro-6a,7,7a,8,9,10,11,11a-octahydro-5H-indolo[1,2-a]quinoxalin-6-one (CID 115510048) is 2,4-difluoro-6a,7,7a,8,9,10,11,11a-octahydro-5H-indolo[1,2-a]quinoxalin-6-one.
What is the SMILES notation for 2,4-difluoro-6a,7,7a,8,9,10,11,11a-octahydro-5H-indolo[1,2-a]quinoxalin-6-one?
The canonical SMILES for 2,4-difluoro-6a,7,7a,8,9,10,11,11a-octahydro-5H-indolo[1,2-a]quinoxalin-6-one is O=C1Nc2c(F)cc(F)cc2N2C1CC1CCCCC12.
What is the InChIKey of 2,4-difluoro-6a,7,7a,8,9,10,11,11a-octahydro-5H-indolo[1,2-a]quinoxalin-6-one?
The InChIKey is UFOWHWHALUTNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c16-9-6-10(17)14-12(7-9)19-11-4-2-1-3-8(11)5-13(19)15(20)18-14/h6-8,11,13H,1-5H2,(H,18,20).
What are the key properties of 2,4-difluoro-6a,7,7a,8,9,10,11,11a-octahydro-5H-indolo[1,2-a]quinoxalin-6-one?
2,4-difluoro-6a,7,7a,8,9,10,11,11a-octahydro-5H-indolo[1,2-a]quinoxalin-6-one has a molecular weight of 278.30 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6a,7,7a,8,9,10,11,11a-octahydro-5H-indolo[1,2-a]quinoxalin-6-one is sourced from PubChem (CID 115510048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).