2-fluoro-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoxalin-12-one

C16H13FN2O — CID 79271501

IUPAC2-fluoro-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoxalin-12-one
SMILESO=C1Nc2cc(F)ccc2N2CCc3ccccc3C12
InChIInChI=1S/C16H13FN2O/c17-11-5-6-14-13(9-11)18-16(20)15-12-4-2-1-3-10(12)7-8-19(14)15/h1-6,9,15H,7-8H2,(H,18,20)
InChIKeyVESQTAZPYFYZFL-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.88
Rot. Bonds

About 2-fluoro-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoxalin-12-one

2-fluoro-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoxalin-12-one (PubChem CID 79271501) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-fluoro-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoxalin-12-one.

Molecular Properties

Compound Name2-fluoro-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoxalin-12-one
PubChem CID79271501
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name2-fluoro-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoxalin-12-one
SMILESO=C1Nc2cc(F)ccc2N2CCc3ccccc3C12
InChIInChI=1S/C16H13FN2O/c17-11-5-6-14-13(9-11)18-16(20)15-12-4-2-1-3-10(12)7-8-19(14)15/h1-6,9,15H,7-8H2,(H,18,20)
InChIKeyVESQTAZPYFYZFL-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoxalin-12-one?
The IUPAC name of 2-fluoro-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoxalin-12-one (CID 79271501) is 2-fluoro-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoxalin-12-one.
What is the SMILES notation for 2-fluoro-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoxalin-12-one?
The canonical SMILES for 2-fluoro-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoxalin-12-one is O=C1Nc2cc(F)ccc2N2CCc3ccccc3C12.
What is the InChIKey of 2-fluoro-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoxalin-12-one?
The InChIKey is VESQTAZPYFYZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-11-5-6-14-13(9-11)18-16(20)15-12-4-2-1-3-10(12)7-8-19(14)15/h1-6,9,15H,7-8H2,(H,18,20).
What are the key properties of 2-fluoro-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoxalin-12-one?
2-fluoro-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoxalin-12-one has a molecular weight of 268.29 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6,7,11b,13-tetrahydroisoquinolino[2,1-a]quinoxalin-12-one is sourced from PubChem (CID 79271501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).