ethyl 1,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dioxoquinoxaline-6-carboxylate

C18H23N3O6 — CID 156537612

IUPACethyl 1,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dioxoquinoxaline-6-carboxylate
SMILESCCOC(=O)c1cc2c(cc1NC(=O)OC(C)(C)C)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C18H23N3O6/c1-7-26-16(24)10-8-12-13(21(6)15(23)14(22)20(12)5)9-11(10)19-17(25)27-18(2,3)4/h8-9H,7H2,1-6H3,(H,19,25)
InChIKeyIZLILNGVGIDDLX-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.76
Rot. Bonds3

About ethyl 1,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dioxoquinoxaline-6-carboxylate

ethyl 1,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dioxoquinoxaline-6-carboxylate (PubChem CID 156537612) has the molecular formula C18H23N3O6 and a molecular weight of 377.40 g/mol. Its IUPAC name is ethyl 1,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dioxoquinoxaline-6-carboxylate.

Molecular Properties

Compound Nameethyl 1,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dioxoquinoxaline-6-carboxylate
PubChem CID156537612
Molecular FormulaC18H23N3O6
Molecular Weight377.40 g/mol
Exact Mass377.16
IUPAC Nameethyl 1,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dioxoquinoxaline-6-carboxylate
SMILESCCOC(=O)c1cc2c(cc1NC(=O)OC(C)(C)C)n(C)c(=O)c(=O)n2C
InChIInChI=1S/C18H23N3O6/c1-7-26-16(24)10-8-12-13(21(6)15(23)14(22)20(12)5)9-11(10)19-17(25)27-18(2,3)4/h8-9H,7H2,1-6H3,(H,19,25)
InChIKeyIZLILNGVGIDDLX-UHFFFAOYSA-N
XLogP1.76
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 58563500
ethyl 1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylate
CID 14488339
ethyl 1-(4-fluorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyridine-3-carboxylate
CID 152573869
ethyl 7-amino-1-[2,4-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-6-methoxy-8-methyl-4-oxoquinoline-3-carboxylate
CID 23284680
ethyl 8-bromo-1-[2,4-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 10973728
ethyl 5-ethenyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 166869398
ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155167042
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813
ethyl 2-[[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetyl]amino]benzoate
CID 39982679
2-O-tert-butyl 1-O-ethyl 4,5-dibromobenzene-1,2-dicarboxylate
CID 23502195
methyl 6-amino-2-ethoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 67356334
tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate
CID 69096726

Frequently Asked Questions

What is the IUPAC name of ethyl 1,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dioxoquinoxaline-6-carboxylate?
The IUPAC name of ethyl 1,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dioxoquinoxaline-6-carboxylate (CID 156537612) is ethyl 1,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dioxoquinoxaline-6-carboxylate.
What is the SMILES notation for ethyl 1,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dioxoquinoxaline-6-carboxylate?
The canonical SMILES for ethyl 1,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dioxoquinoxaline-6-carboxylate is CCOC(=O)c1cc2c(cc1NC(=O)OC(C)(C)C)n(C)c(=O)c(=O)n2C.
What is the InChIKey of ethyl 1,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dioxoquinoxaline-6-carboxylate?
The InChIKey is IZLILNGVGIDDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O6/c1-7-26-16(24)10-8-12-13(21(6)15(23)14(22)20(12)5)9-11(10)19-17(25)27-18(2,3)4/h8-9H,7H2,1-6H3,(H,19,25).
What are the key properties of ethyl 1,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dioxoquinoxaline-6-carboxylate?
ethyl 1,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dioxoquinoxaline-6-carboxylate has a molecular weight of 377.40 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,4-dimethyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dioxoquinoxaline-6-carboxylate is sourced from PubChem (CID 156537612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).