3-(trifluoromethyl)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one

C13H13F3N2O — CID 3811925

IUPAC3-(trifluoromethyl)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2N2CCCCC12
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)8-4-5-10-9(7-8)17-12(19)11-3-1-2-6-18(10)11/h4-5,7,11H,1-3,6H2,(H,17,19)
InChIKeyALVHALYHZSSJEM-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.02
Rot. Bonds

About 3-(trifluoromethyl)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one

3-(trifluoromethyl)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one (PubChem CID 3811925) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is 3-(trifluoromethyl)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one.

Molecular Properties

Compound Name3-(trifluoromethyl)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
PubChem CID3811925
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name3-(trifluoromethyl)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
SMILESO=C1Nc2cc(C(F)(F)F)ccc2N2CCCCC12
InChIInChI=1S/C13H13F3N2O/c14-13(15,16)8-4-5-10-9(7-8)17-12(19)11-3-1-2-6-18(10)11/h4-5,7,11H,1-3,6H2,(H,17,19)
InChIKeyALVHALYHZSSJEM-UHFFFAOYSA-N
XLogP3.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(trifluoromethyl)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one with MolForge

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Related Compounds

7-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoxalin-2-one
CID 5311897
2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278179
1,4-Dihydro-6-methylquinoxaline-2,3-dione
CID 73225
4-Benzyl-1,3-dihydroquinoxalin-2-one
CID 759495
2-(4-benzylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2697446
4-Oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile
CID 3427544
7-(4-methylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 22427099
2-[3-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]propyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 10646680
6-Dipropylamino-1,2,6,7-tetrahydro-5H-pyrido[1,2,3-de]quinoxalin-3-one
CID 15744960
7-((dimethylamino)methyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one
CID 45268640
3-((dimethylamino)methyl)-7,8,9,10-tetrahydro-5H-pyrido[1,2-a]quinoxalin-6(6aH)-one
CID 45271143
7-(pyrrolidin-1-ylmethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one
CID 45272044

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The IUPAC name of 3-(trifluoromethyl)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one (CID 3811925) is 3-(trifluoromethyl)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one.
What is the SMILES notation for 3-(trifluoromethyl)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The canonical SMILES for 3-(trifluoromethyl)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one is O=C1Nc2cc(C(F)(F)F)ccc2N2CCCCC12.
What is the InChIKey of 3-(trifluoromethyl)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The InChIKey is ALVHALYHZSSJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c14-13(15,16)8-4-5-10-9(7-8)17-12(19)11-3-1-2-6-18(10)11/h4-5,7,11H,1-3,6H2,(H,17,19).
What are the key properties of 3-(trifluoromethyl)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
3-(trifluoromethyl)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one has a molecular weight of 270.25 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one is sourced from PubChem (CID 3811925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).