8-fluoro-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one

C12H14FN3O — CID 11687306

IUPAC8-fluoro-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one
SMILESCc1c(F)ccc2c1C(=O)NC1CNCCN21
InChIInChI=1S/C12H14FN3O/c1-7-8(13)2-3-9-11(7)12(17)15-10-6-14-4-5-16(9)10/h2-3,10,14H,4-6H2,1H3,(H,15,17)
InChIKeyMNJBFLMCRCLQOL-UHFFFAOYSA-N
MW235.26 g/mol
LogP0.61
Rot. Bonds

About 8-fluoro-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one

8-fluoro-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one (PubChem CID 11687306) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 8-fluoro-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one.

Molecular Properties

Compound Name8-fluoro-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one
PubChem CID11687306
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name8-fluoro-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one
SMILESCc1c(F)ccc2c1C(=O)NC1CNCCN21
InChIInChI=1S/C12H14FN3O/c1-7-8(13)2-3-9-11(7)12(17)15-10-6-14-4-5-16(9)10/h2-3,10,14H,4-6H2,1H3,(H,15,17)
InChIKeyMNJBFLMCRCLQOL-UHFFFAOYSA-N
XLogP0.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-fluoro-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one with MolForge

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Related Compounds

(4aS)-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one
CID 71036827
(5aR)-10-chloro-8-methyl-2,3,4,5,5a,6-hexahydro-1H-[1,4]diazepino[1,7-a]quinazolin-7-one
CID 11630354
(4aR)-8-(trifluoromethyl)-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one
CID 58688281
10-ethyl-8-fluoro-2,3,4,5,5a,6-hexahydro-1H-[1,4]diazepino[1,7-a]quinazolin-7-one
CID 71037141
7,8-dimethyl-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
CID 84626661
10-chloro-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one
CID 46230096
(5aS)-9-(trifluoromethyl)-2,3,4,5,5a,6-hexahydro-1H-[1,4]diazepino[1,7-a]quinazolin-7-one
CID 11580077
2-ethyl-1-(2-fluoro-5-methylphenyl)piperazine
CID 64938636
7-(2,3-dimethylphenyl)-2,3,4,8,9,9a-hexahydro-1H-pyrazino[1,2-c]pyrimidin-6-one
CID 117002110
(2S)-1-(4-fluoro-3-methylphenyl)-2-methylpiperazine
CID 121448830
(5aS)-8,11-dichloro-2,3,4,5,5a,6-hexahydro-1H-[1,4]diazepino[1,7-a]quinazolin-7-one
CID 11687833
4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-7-fluoro-2-piperidin-3-yl-3H-isoindol-1-one
CID 175880335

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one?
The IUPAC name of 8-fluoro-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one (CID 11687306) is 8-fluoro-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one.
What is the SMILES notation for 8-fluoro-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one?
The canonical SMILES for 8-fluoro-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one is Cc1c(F)ccc2c1C(=O)NC1CNCCN21.
What is the InChIKey of 8-fluoro-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one?
The InChIKey is MNJBFLMCRCLQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-7-8(13)2-3-9-11(7)12(17)15-10-6-14-4-5-16(9)10/h2-3,10,14H,4-6H2,1H3,(H,15,17).
What are the key properties of 8-fluoro-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one?
8-fluoro-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one has a molecular weight of 235.26 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-methyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a]quinazolin-6-one is sourced from PubChem (CID 11687306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).