8-(trifluoromethyl)-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinolin-5-one

C13H13F3N2O — CID 175776881

IUPAC8-(trifluoromethyl)-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinolin-5-one
SMILESO=C1Cc2cc(C(F)(F)F)ccc2N2CCNCC12
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)9-1-2-10-8(5-9)6-12(19)11-7-17-3-4-18(10)11/h1-2,5,11,17H,3-4,6-7H2
InChIKeyXSBUUABRQOJLJT-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.61
Rot. Bonds

About 8-(trifluoromethyl)-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinolin-5-one

8-(trifluoromethyl)-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinolin-5-one (PubChem CID 175776881) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 8-(trifluoromethyl)-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinolin-5-one.

Molecular Properties

Compound Name8-(trifluoromethyl)-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinolin-5-one
PubChem CID175776881
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name8-(trifluoromethyl)-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinolin-5-one
SMILESO=C1Cc2cc(C(F)(F)F)ccc2N2CCNCC12
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)9-1-2-10-8(5-9)6-12(19)11-7-17-3-4-18(10)11/h1-2,5,11,17H,3-4,6-7H2
InChIKeyXSBUUABRQOJLJT-UHFFFAOYSA-N
XLogP1.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinolin-5-one?
The IUPAC name of 8-(trifluoromethyl)-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinolin-5-one (CID 175776881) is 8-(trifluoromethyl)-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinolin-5-one.
What is the SMILES notation for 8-(trifluoromethyl)-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinolin-5-one?
The canonical SMILES for 8-(trifluoromethyl)-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinolin-5-one is O=C1Cc2cc(C(F)(F)F)ccc2N2CCNCC12.
What is the InChIKey of 8-(trifluoromethyl)-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinolin-5-one?
The InChIKey is XSBUUABRQOJLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c14-13(15,16)9-1-2-10-8(5-9)6-12(19)11-7-17-3-4-18(10)11/h1-2,5,11,17H,3-4,6-7H2.
What are the key properties of 8-(trifluoromethyl)-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinolin-5-one?
8-(trifluoromethyl)-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinolin-5-one has a molecular weight of 270.25 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinolin-5-one is sourced from PubChem (CID 175776881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).