methyl 6-(3-fluorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate

C20H19FN2O4 — CID 16585293

IUPACmethyl 6-(3-fluorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate
SMILESCOC(=O)C1=C2C(=O)NCCN2C2=C(C(=O)CCC2)C1c1cccc(F)c1
InChIInChI=1S/C20H19FN2O4/c1-27-20(26)17-15(11-4-2-5-12(21)10-11)16-13(6-3-7-14(16)24)23-9-8-22-19(25)18(17)23/h2,4-5,10,15H,3,6-9H2,1H3,(H,22,25)
InChIKeySZUKVHFEJQZMHT-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.79
Rot. Bonds2

About methyl 6-(3-fluorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate

methyl 6-(3-fluorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate (PubChem CID 16585293) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is methyl 6-(3-fluorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-fluorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate
PubChem CID16585293
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC Namemethyl 6-(3-fluorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate
SMILESCOC(=O)C1=C2C(=O)NCCN2C2=C(C(=O)CCC2)C1c1cccc(F)c1
InChIInChI=1S/C20H19FN2O4/c1-27-20(26)17-15(11-4-2-5-12(21)10-11)16-13(6-3-7-14(16)24)23-9-8-22-19(25)18(17)23/h2,4-5,10,15H,3,6-9H2,1H3,(H,22,25)
InChIKeySZUKVHFEJQZMHT-UHFFFAOYSA-N
XLogP1.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-(3-fluorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate with MolForge

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Related Compounds

[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl 2,7,7-trimethyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 145988452
[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl 2,7,7-trimethyl-5-oxo-4-(3-propan-2-ylphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 145979138
Methyl 5-(4-fluorophenyl)-1,3,7-trimethyl-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 2920253
methyl 6-(4-fluorophenyl)-9,9-dimethyl-4,7-dioxo-2,3,4,6,7,8,9,10-octahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate
CID 5306278
Methyl 4-(3-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2847493
tert-butyl 4-(2-fluorophenyl)-2-methyl-5-oxo-4,6-dihydro-1H-1,6-naphthyridine-3-carboxylate
CID 13706841
Wy 46531
CID 146983
7-Ethyl 9-methyl 6-(chloromethyl)-8-(4-fluorophenyl)-3-methyl-1-oxo-1,3,4,8-tetrahydro-2h-pyrido[1,2-a]pyrazine-7,9-dicarboxylate
CID 129838994
Ethyl 6-(4-fluorophenyl)-4,7-dioxo-2,3,4,6,7,8,9,10-octahydro-1h-pyrazino[1,2-a]quinoline-5-carboxylate
CID 129839111
Ethyl 5-(4-fluorophenyl)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 134914338
Methyl 5-(4-fluorophenyl)-7-methyl-2,4-dioxo-1,3-dipropyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 134914414
Methyl 1,3-dibutyl-5-(4-fluorophenyl)-7-methyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 134914419

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-fluorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate?
The IUPAC name of methyl 6-(3-fluorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate (CID 16585293) is methyl 6-(3-fluorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate.
What is the SMILES notation for methyl 6-(3-fluorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate?
The canonical SMILES for methyl 6-(3-fluorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate is COC(=O)C1=C2C(=O)NCCN2C2=C(C(=O)CCC2)C1c1cccc(F)c1.
What is the InChIKey of methyl 6-(3-fluorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate?
The InChIKey is SZUKVHFEJQZMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-27-20(26)17-15(11-4-2-5-12(21)10-11)16-13(6-3-7-14(16)24)23-9-8-22-19(25)18(17)23/h2,4-5,10,15H,3,6-9H2,1H3,(H,22,25).
What are the key properties of methyl 6-(3-fluorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate?
methyl 6-(3-fluorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate has a molecular weight of 370.38 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-fluorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate is sourced from PubChem (CID 16585293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).