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

C20H19ClN2O4 — CID 5306273

IUPACmethyl 6-(4-chlorophenyl)-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)C1c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O4/c1-27-20(26)17-15(11-5-7-12(21)8-6-11)16-13(3-2-4-14(16)24)23-10-9-22-19(25)18(17)23/h5-8,15H,2-4,9-10H2,1H3,(H,22,25)
InChIKeyRDRWIGKQBPMTSY-UHFFFAOYSA-N
MW386.84 g/mol
LogP2.30
Rot. Bonds2

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

methyl 6-(4-chlorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate (PubChem CID 5306273) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is methyl 6-(4-chlorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-chlorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate
PubChem CID5306273
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Namemethyl 6-(4-chlorophenyl)-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)C1c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClN2O4/c1-27-20(26)17-15(11-5-7-12(21)8-6-11)16-13(3-2-4-14(16)24)23-10-9-22-19(25)18(17)23/h5-8,15H,2-4,9-10H2,1H3,(H,22,25)
InChIKeyRDRWIGKQBPMTSY-UHFFFAOYSA-N
XLogP2.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-chlorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate?
The IUPAC name of methyl 6-(4-chlorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate (CID 5306273) is methyl 6-(4-chlorophenyl)-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-(4-chlorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate?
The canonical SMILES for methyl 6-(4-chlorophenyl)-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)C1c1ccc(Cl)cc1.
What is the InChIKey of methyl 6-(4-chlorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate?
The InChIKey is RDRWIGKQBPMTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-27-20(26)17-15(11-5-7-12(21)8-6-11)16-13(3-2-4-14(16)24)23-10-9-22-19(25)18(17)23/h5-8,15H,2-4,9-10H2,1H3,(H,22,25).
What are the key properties of methyl 6-(4-chlorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate?
methyl 6-(4-chlorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate has a molecular weight of 386.84 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-chlorophenyl)-4,7-dioxo-2,3,6,8,9,10-hexahydro-1H-pyrazino[1,2-a]quinoline-5-carboxylate is sourced from PubChem (CID 5306273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).