10-fluoro-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one

C14H17FN2O — CID 82026816

IUPAC10-fluoro-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
SMILESCC1(C)CN2C(=O)CNCC2c2cc(F)ccc21
InChIInChI=1S/C14H17FN2O/c1-14(2)8-17-12(6-16-7-13(17)18)10-5-9(15)3-4-11(10)14/h3-5,12,16H,6-8H2,1-2H3
InChIKeyQUHADFREVWFLPU-UHFFFAOYSA-N
MW248.30 g/mol
LogP1.59
Rot. Bonds

About 10-fluoro-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one

10-fluoro-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one (PubChem CID 82026816) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 10-fluoro-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one.

Molecular Properties

Compound Name10-fluoro-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
PubChem CID82026816
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name10-fluoro-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
SMILESCC1(C)CN2C(=O)CNCC2c2cc(F)ccc21
InChIInChI=1S/C14H17FN2O/c1-14(2)8-17-12(6-16-7-13(17)18)10-5-9(15)3-4-11(10)14/h3-5,12,16H,6-8H2,1-2H3
InChIKeyQUHADFREVWFLPU-UHFFFAOYSA-N
XLogP1.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 10-fluoro-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one with MolForge

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Related Compounds

7,7,9-trimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 82026820
7,7-difluoro-3-thia-9,12-diazatricyclo[7.4.0.02,6]trideca-2(6),4-dien-10-one
CID 171786805
9-fluoro-6-methyl-2,3,4,4a-tetrahydropyrazino[1,2-a]quinoxaline-1,5-dione
CID 84633414
(1R)-6-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837861
7-fluoro-4,4-dimethyl-2,3-dihydro-1H-isoquinoline-1-carboxylic acid
CID 82579811
6-fluoro-2,4,4-trimethyl-3H-isoquinolin-1-one
CID 177485750
2-[3-(4-fluorophenyl)propanoyl]-7,7-dimethyl-1,3,6,11b-tetrahydropyrazino[2,1-a]isoquinolin-4-one
CID 110424939
9-chloro-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one
CID 133058992
9-bromo-1,2,3,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-4-one
CID 129137385
6-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 84942810
1-(7-fluoro-2-hydroxy-3,3-dimethyl-4-oxo-1,2-dihydronaphthalen-1-yl)pyrrolidin-2-one
CID 19734618
2-(2,4-difluorophenyl)-3-(2,2,3,3-tetramethylcyclopropyl)imidazolidin-4-one
CID 83269593

Frequently Asked Questions

What is the IUPAC name of 10-fluoro-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one?
The IUPAC name of 10-fluoro-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one (CID 82026816) is 10-fluoro-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one.
What is the SMILES notation for 10-fluoro-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one?
The canonical SMILES for 10-fluoro-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one is CC1(C)CN2C(=O)CNCC2c2cc(F)ccc21.
What is the InChIKey of 10-fluoro-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one?
The InChIKey is QUHADFREVWFLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-14(2)8-17-12(6-16-7-13(17)18)10-5-9(15)3-4-11(10)14/h3-5,12,16H,6-8H2,1-2H3.
What are the key properties of 10-fluoro-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one?
10-fluoro-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one has a molecular weight of 248.30 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one is sourced from PubChem (CID 82026816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).