ethyl 6,7-dichloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate

C20H18Cl2N4O4 — CID 46091300

IUPACethyl 6,7-dichloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H18Cl2N4O4/c1-2-29-20(28)17-18(24-15-11-13(22)12(21)10-14(15)23-17)25-5-7-26(8-6-25)19(27)16-4-3-9-30-16/h3-4,9-11H,2,5-8H2,1H3
InChIKeyMSHMTUWSBBYQBV-UHFFFAOYSA-N
MW449.29 g/mol
LogP3.67
Rot. Bonds4

About ethyl 6,7-dichloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate

ethyl 6,7-dichloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate (PubChem CID 46091300) has the molecular formula C20H18Cl2N4O4 and a molecular weight of 449.29 g/mol. Its IUPAC name is ethyl 6,7-dichloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-dichloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate
PubChem CID46091300
Molecular FormulaC20H18Cl2N4O4
Molecular Weight449.29 g/mol
Exact Mass448.07
IUPAC Nameethyl 6,7-dichloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H18Cl2N4O4/c1-2-29-20(28)17-18(24-15-11-13(22)12(21)10-14(15)23-17)25-5-7-26(8-6-25)19(27)16-4-3-9-30-16/h3-4,9-11H,2,5-8H2,1H3
InChIKeyMSHMTUWSBBYQBV-UHFFFAOYSA-N
XLogP3.67
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.29
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 6,7-dichloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate with MolForge

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Related Compounds

ethyl 6,7-dichloro-3-[4-(2-phenoxyacetyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 46093093
ethyl 6,7-dichloro-3-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]quinoxaline-2-carboxylate
CID 92762178
ethyl 6,7-dimethyl-3-[4-(2-methylbenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 46093032
ethyl 6,7-dimethyl-3-[4-(2,3,4,5,6-pentafluorobenzoyl)piperazin-1-yl]quinoxaline-2-carboxylate
CID 46093104
ethyl 3-[4-(2-acetyloxy-2-methylpropanoyl)-1,4-diazepan-1-yl]-6,7-dichloroquinoxaline-2-carboxylate
CID 46093188
ethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]benzoate
CID 110672918
ethyl 3-[4-(5-fluoro-2-methylbenzoyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate
CID 46093066
ethyl 3-[4-[(2S)-2-acetyloxypropanoyl]-1,4-diazepan-1-yl]-6,7-dichloroquinoxaline-2-carboxylate
CID 46093191
ethyl 3-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate
CID 46093160
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
ethyl 3-[4-(2-chloropyridine-3-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
CID 46093128
[4-[6,7-dimethoxy-3-(methylamino)quinoxalin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 23934063

Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-dichloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate?
The IUPAC name of ethyl 6,7-dichloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate (CID 46091300) is ethyl 6,7-dichloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate.
What is the SMILES notation for ethyl 6,7-dichloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate?
The canonical SMILES for ethyl 6,7-dichloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate is CCOC(=O)c1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of ethyl 6,7-dichloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate?
The InChIKey is MSHMTUWSBBYQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N4O4/c1-2-29-20(28)17-18(24-15-11-13(22)12(21)10-14(15)23-17)25-5-7-26(8-6-25)19(27)16-4-3-9-30-16/h3-4,9-11H,2,5-8H2,1H3.
What are the key properties of ethyl 6,7-dichloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate?
ethyl 6,7-dichloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate has a molecular weight of 449.29 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-dichloro-3-[4-(furan-2-carbonyl)piperazin-1-yl]quinoxaline-2-carboxylate is sourced from PubChem (CID 46091300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).