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

C21H22N2O4 — CID 41455820

IUPACmethyl (6S,9S)-9-methyl-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)C[C@@H](C)C2)[C@@H]1c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-12-10-14-17(15(24)11-12)16(13-6-4-3-5-7-13)18(21(26)27-2)19-20(25)22-8-9-23(14)19/h3-7,12,16H,8-11H2,1-2H3,(H,22,25)/t12-,16-/m0/s1
InChIKeyDRMHPLAMZOEKED-LRDDRELGSA-N
MW366.42 g/mol
LogP1.90
Rot. Bonds2

About 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

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 (PubChem CID 41455820) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl (6S,9S)-9-methyl-4,7-dioxo-6-phenyl-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate
PubChem CID41455820
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Namemethyl (6S,9S)-9-methyl-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)C[C@@H](C)C2)[C@@H]1c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-12-10-14-17(15(24)11-12)16(13-6-4-3-5-7-13)18(21(26)27-2)19-20(25)22-8-9-23(14)19/h3-7,12,16H,8-11H2,1-2H3,(H,22,25)/t12-,16-/m0/s1
InChIKeyDRMHPLAMZOEKED-LRDDRELGSA-N
XLogP1.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4,7-dioxo-6-phenyl-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate
CID 5306275
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)-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 (3S,8R)-3-methyl-1,6-dioxo-8-phenyl-3,4,7,8-tetrahydro-2H-pyrazino[1,2-c]pyrimidine-9-carboxylate
CID 95738715
methyl 2-amino-5-oxo-4-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate
CID 3835924
methyl 2-methyl-5-oxo-7-phenyl-4-pyridin-4-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2847626
methyl (4R,7S)-2-amino-4-(4-ethoxyphenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate
CID 92698902

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)C1=C2C(=O)NCCN2C2=C(C(=O)C[C@@H](C)C2)[C@@H]1c1ccccc1.
What is the InChIKey of 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?
The InChIKey is DRMHPLAMZOEKED-LRDDRELGSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-12-10-14-17(15(24)11-12)16(13-6-4-3-5-7-13)18(21(26)27-2)19-20(25)22-8-9-23(14)19/h3-7,12,16H,8-11H2,1-2H3,(H,22,25)/t12-,16-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 366.42 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 41455820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).