6-(4-chloro-3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile

C18H11ClFN3O — CID 118341178

IUPAC6-(4-chloro-3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)c(F)c2)c2c(c1)cc1n2CCNC1=O
InChIInChI=1S/C18H11ClFN3O/c19-14-2-1-11(7-15(14)20)13-6-10(9-21)5-12-8-16-18(24)22-3-4-23(16)17(12)13/h1-2,5-8H,3-4H2,(H,22,24)
InChIKeyZSTGVWJDEYDPGX-UHFFFAOYSA-N
MW339.76 g/mol
LogP3.72
Rot. Bonds1

About 6-(4-chloro-3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile

6-(4-chloro-3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile (PubChem CID 118341178) has the molecular formula C18H11ClFN3O and a molecular weight of 339.76 g/mol. Its IUPAC name is 6-(4-chloro-3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile.

Molecular Properties

Compound Name6-(4-chloro-3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile
PubChem CID118341178
Molecular FormulaC18H11ClFN3O
Molecular Weight339.76 g/mol
Exact Mass339.06
IUPAC Name6-(4-chloro-3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)c(F)c2)c2c(c1)cc1n2CCNC1=O
InChIInChI=1S/C18H11ClFN3O/c19-14-2-1-11(7-15(14)20)13-6-10(9-21)5-12-8-16-18(24)22-3-4-23(16)17(12)13/h1-2,5-8H,3-4H2,(H,22,24)
InChIKeyZSTGVWJDEYDPGX-UHFFFAOYSA-N
XLogP3.72
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile?
The IUPAC name of 6-(4-chloro-3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile (CID 118341178) is 6-(4-chloro-3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile.
What is the SMILES notation for 6-(4-chloro-3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile?
The canonical SMILES for 6-(4-chloro-3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile is N#Cc1cc(-c2ccc(Cl)c(F)c2)c2c(c1)cc1n2CCNC1=O.
What is the InChIKey of 6-(4-chloro-3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile?
The InChIKey is ZSTGVWJDEYDPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN3O/c19-14-2-1-11(7-15(14)20)13-6-10(9-21)5-12-8-16-18(24)22-3-4-23(16)17(12)13/h1-2,5-8H,3-4H2,(H,22,24).
What are the key properties of 6-(4-chloro-3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile?
6-(4-chloro-3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile has a molecular weight of 339.76 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrazino[1,2-a]indole-8-carbonitrile is sourced from PubChem (CID 118341178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).