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

C20H20N2O4 — CID 5306275

IUPACmethyl 4,7-dioxo-6-phenyl-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)C1c1ccccc1
InChIInChI=1S/C20H20N2O4/c1-26-20(25)17-15(12-6-3-2-4-7-12)16-13(8-5-9-14(16)23)22-11-10-21-19(24)18(17)22/h2-4,6-7,15H,5,8-11H2,1H3,(H,21,24)
InChIKeySXHIMHBKKQPYGN-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.65
Rot. Bonds2

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

methyl 4,7-dioxo-6-phenyl-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate (PubChem CID 5306275) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 4,7-dioxo-6-phenyl-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 4,7-dioxo-6-phenyl-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate
PubChem CID5306275
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namemethyl 4,7-dioxo-6-phenyl-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)C1c1ccccc1
InChIInChI=1S/C20H20N2O4/c1-26-20(25)17-15(12-6-3-2-4-7-12)16-13(8-5-9-14(16)23)22-11-10-21-19(24)18(17)22/h2-4,6-7,15H,5,8-11H2,1H3,(H,21,24)
InChIKeySXHIMHBKKQPYGN-UHFFFAOYSA-N
XLogP1.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 6-(4-chlorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate
CID 5306273
methyl 6-(3-methylphenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate
CID 16583923
methyl 4,7-dioxo-6-(4-phenylmethoxyphenyl)-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate
CID 16585292
methyl (6S,9S)-9-methyl-4,7-dioxo-6-phenyl-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate
CID 41455820
methyl (6S)-6-(3-hydroxyphenyl)-9,9-dimethyl-4,7-dioxo-1,2,3,6,8,10-hexahydropyrazino[1,2-a]quinoline-5-carboxylate
CID 8016074
methyl (6R)-6-(3-bromophenyl)-9,9-dimethyl-4,7-dioxo-1,2,3,6,8,10-hexahydropyrazino[1,2-a]quinoline-5-carboxylate
CID 41281753
methyl (6R)-6-(4-ethoxyphenyl)-9,9-dimethyl-4,7-dioxo-1,2,3,6,8,10-hexahydropyrazino[1,2-a]quinoline-5-carboxylate
CID 41455831
methyl (6R)-6-(3-ethoxyphenyl)-9,9-dimethyl-4,7-dioxo-1,2,3,6,8,10-hexahydropyrazino[1,2-a]quinoline-5-carboxylate
CID 41281754
methyl 2-amino-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate
CID 3835924
methyl 2-methyl-5-oxo-4-(4-phenylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2869771
methyl (4R)-2-amino-4-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carboxylate
CID 1250376
methyl (4R)-2-amino-4-(4-methoxycarbonylphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
CID 126131302

Frequently Asked Questions

What is the IUPAC name of methyl 4,7-dioxo-6-phenyl-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate?
The IUPAC name of methyl 4,7-dioxo-6-phenyl-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate (CID 5306275) is methyl 4,7-dioxo-6-phenyl-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate.
What is the SMILES notation for methyl 4,7-dioxo-6-phenyl-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate?
The canonical SMILES for methyl 4,7-dioxo-6-phenyl-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)C1c1ccccc1.
What is the InChIKey of methyl 4,7-dioxo-6-phenyl-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate?
The InChIKey is SXHIMHBKKQPYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-26-20(25)17-15(12-6-3-2-4-7-12)16-13(8-5-9-14(16)23)22-11-10-21-19(24)18(17)22/h2-4,6-7,15H,5,8-11H2,1H3,(H,21,24).
What are the key properties of methyl 4,7-dioxo-6-phenyl-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate?
methyl 4,7-dioxo-6-phenyl-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,7-dioxo-6-phenyl-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate is sourced from PubChem (CID 5306275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).