ethyl (1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) carbonate

C14H13N3O4 — CID 23206472

IUPACethyl (1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) carbonate
SMILESCCOC(=O)Oc1nc2c(=O)[nH]c3ccccc3n2c1C
InChIInChI=1S/C14H13N3O4/c1-3-20-14(19)21-13-8(2)17-10-7-5-4-6-9(10)15-12(18)11(17)16-13/h4-7H,3H2,1-2H3,(H,15,18)
InChIKeyUSPOQEFJBLDSMT-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.02
Rot. Bonds2

About ethyl (1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) carbonate

ethyl (1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) carbonate (PubChem CID 23206472) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is ethyl (1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) carbonate.

Molecular Properties

Compound Nameethyl (1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) carbonate
PubChem CID23206472
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Nameethyl (1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) carbonate
SMILESCCOC(=O)Oc1nc2c(=O)[nH]c3ccccc3n2c1C
InChIInChI=1S/C14H13N3O4/c1-3-20-14(19)21-13-8(2)17-10-7-5-4-6-9(10)15-12(18)11(17)16-13/h4-7H,3H2,1-2H3,(H,15,18)
InChIKeyUSPOQEFJBLDSMT-UHFFFAOYSA-N
XLogP2.02
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[8-chloro-1-ethyl-4-oxo-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxalin-2-yl] ethyl carbonate
CID 23206487
1-methyl-5H-imidazo[1,5-a]quinoxalin-4-one
CID 15076566
ethyl 3-(8-chloro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoate
CID 23206474
3-(2,3-dioxo-4H-quinoxalin-1-yl)propoxymethyl ethyl carbonate
CID 163261612
ethyl 10H-indolo[1,2-a]benzimidazole-11-carboxylate
CID 102334118
ethyl 5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carboxylate
CID 122523532
ethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione
CID 156863175
ethyl (1-methylindol-2-yl) carbonate
CID 67809061
2-(4-(111C)methoxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
CID 177452003
ethyl 2-(4-cyano-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazol-2-yl)acetate
CID 23033591
1-(fluoromethyl)-5H-imidazo[1,2-a]quinoxalin-4-one
CID 140974798
ethyl (2-methyl-1-propylindol-3-yl) carbonate
CID 91188926

Frequently Asked Questions

What is the IUPAC name of ethyl (1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) carbonate?
The IUPAC name of ethyl (1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) carbonate (CID 23206472) is ethyl (1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) carbonate.
What is the SMILES notation for ethyl (1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) carbonate?
The canonical SMILES for ethyl (1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) carbonate is CCOC(=O)Oc1nc2c(=O)[nH]c3ccccc3n2c1C.
What is the InChIKey of ethyl (1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) carbonate?
The InChIKey is USPOQEFJBLDSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-3-20-14(19)21-13-8(2)17-10-7-5-4-6-9(10)15-12(18)11(17)16-13/h4-7H,3H2,1-2H3,(H,15,18).
What are the key properties of ethyl (1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) carbonate?
ethyl (1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) carbonate has a molecular weight of 287.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) carbonate is sourced from PubChem (CID 23206472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).