6-(4-chlorophenyl)-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C17H12ClFN2O — CID 90035906

IUPAC6-(4-chlorophenyl)-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESO=C1NCCn2c1cc1cc(F)cc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C17H12ClFN2O/c18-12-3-1-10(2-4-12)14-9-13(19)7-11-8-15-17(22)20-5-6-21(15)16(11)14/h1-4,7-9H,5-6H2,(H,20,22)
InChIKeyQGWVTKNGSPBCPN-UHFFFAOYSA-N
MW314.75 g/mol
LogP3.84
Rot. Bonds1

About 6-(4-chlorophenyl)-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

6-(4-chlorophenyl)-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 90035906) has the molecular formula C17H12ClFN2O and a molecular weight of 314.75 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID90035906
Molecular FormulaC17H12ClFN2O
Molecular Weight314.75 g/mol
Exact Mass314.06
IUPAC Name6-(4-chlorophenyl)-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESO=C1NCCn2c1cc1cc(F)cc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C17H12ClFN2O/c18-12-3-1-10(2-4-12)14-9-13(19)7-11-8-15-17(22)20-5-6-21(15)16(11)14/h1-4,7-9H,5-6H2,(H,20,22)
InChIKeyQGWVTKNGSPBCPN-UHFFFAOYSA-N
XLogP3.84
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.75
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 6-(4-chlorophenyl)-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 90035906) is 6-(4-chlorophenyl)-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 6-(4-chlorophenyl)-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 6-(4-chlorophenyl)-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is O=C1NCCn2c1cc1cc(F)cc(-c3ccc(Cl)cc3)c12.
What is the InChIKey of 6-(4-chlorophenyl)-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is QGWVTKNGSPBCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O/c18-12-3-1-10(2-4-12)14-9-13(19)7-11-8-15-17(22)20-5-6-21(15)16(11)14/h1-4,7-9H,5-6H2,(H,20,22).
What are the key properties of 6-(4-chlorophenyl)-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
6-(4-chlorophenyl)-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 314.75 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-8-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 90035906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).