1-(aminomethyl)-8-(trifluoromethyl)quinolizin-4-one

C11H9F3N2O — CID 115044591

IUPAC1-(aminomethyl)-8-(trifluoromethyl)quinolizin-4-one
SMILESNCc1ccc(=O)n2ccc(C(F)(F)F)cc12
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)8-3-4-16-9(5-8)7(6-15)1-2-10(16)17/h1-5H,6,15H2
InChIKeyWJHXSAYOTCSVOH-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.78
Rot. Bonds1

About 1-(aminomethyl)-8-(trifluoromethyl)quinolizin-4-one

1-(aminomethyl)-8-(trifluoromethyl)quinolizin-4-one (PubChem CID 115044591) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 1-(aminomethyl)-8-(trifluoromethyl)quinolizin-4-one.

Molecular Properties

Compound Name1-(aminomethyl)-8-(trifluoromethyl)quinolizin-4-one
PubChem CID115044591
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name1-(aminomethyl)-8-(trifluoromethyl)quinolizin-4-one
SMILESNCc1ccc(=O)n2ccc(C(F)(F)F)cc12
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)8-3-4-16-9(5-8)7(6-15)1-2-10(16)17/h1-5H,6,15H2
InChIKeyWJHXSAYOTCSVOH-UHFFFAOYSA-N
XLogP1.78
TPSA47.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-8-(trifluoromethyl)quinolizin-4-one?
The IUPAC name of 1-(aminomethyl)-8-(trifluoromethyl)quinolizin-4-one (CID 115044591) is 1-(aminomethyl)-8-(trifluoromethyl)quinolizin-4-one.
What is the SMILES notation for 1-(aminomethyl)-8-(trifluoromethyl)quinolizin-4-one?
The canonical SMILES for 1-(aminomethyl)-8-(trifluoromethyl)quinolizin-4-one is NCc1ccc(=O)n2ccc(C(F)(F)F)cc12.
What is the InChIKey of 1-(aminomethyl)-8-(trifluoromethyl)quinolizin-4-one?
The InChIKey is WJHXSAYOTCSVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)8-3-4-16-9(5-8)7(6-15)1-2-10(16)17/h1-5H,6,15H2.
What are the key properties of 1-(aminomethyl)-8-(trifluoromethyl)quinolizin-4-one?
1-(aminomethyl)-8-(trifluoromethyl)quinolizin-4-one has a molecular weight of 242.20 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-8-(trifluoromethyl)quinolizin-4-one is sourced from PubChem (CID 115044591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).