ethyl 3-(8-chloro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoate

C16H16ClN3O3 — CID 23206474

IUPACethyl 3-(8-chloro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoate
SMILESCCOC(=O)CCc1nc2c(=O)[nH]c3ccc(Cl)cc3n2c1C
InChIInChI=1S/C16H16ClN3O3/c1-3-23-14(21)7-6-11-9(2)20-13-8-10(17)4-5-12(13)19-16(22)15(20)18-11/h4-5,8H,3,6-7H2,1-2H3,(H,19,22)
InChIKeyHEPKOZAAROJIPA-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.63
Rot. Bonds4

About ethyl 3-(8-chloro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoate

ethyl 3-(8-chloro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoate (PubChem CID 23206474) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is ethyl 3-(8-chloro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(8-chloro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoate
PubChem CID23206474
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Nameethyl 3-(8-chloro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoate
SMILESCCOC(=O)CCc1nc2c(=O)[nH]c3ccc(Cl)cc3n2c1C
InChIInChI=1S/C16H16ClN3O3/c1-3-23-14(21)7-6-11-9(2)20-13-8-10(17)4-5-12(13)19-16(22)15(20)18-11/h4-5,8H,3,6-7H2,1-2H3,(H,19,22)
InChIKeyHEPKOZAAROJIPA-UHFFFAOYSA-N
XLogP2.63
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(8-chloro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoate?
The IUPAC name of ethyl 3-(8-chloro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoate (CID 23206474) is ethyl 3-(8-chloro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoate.
What is the SMILES notation for ethyl 3-(8-chloro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoate?
The canonical SMILES for ethyl 3-(8-chloro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoate is CCOC(=O)CCc1nc2c(=O)[nH]c3ccc(Cl)cc3n2c1C.
What is the InChIKey of ethyl 3-(8-chloro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoate?
The InChIKey is HEPKOZAAROJIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-3-23-14(21)7-6-11-9(2)20-13-8-10(17)4-5-12(13)19-16(22)15(20)18-11/h4-5,8H,3,6-7H2,1-2H3,(H,19,22).
What are the key properties of ethyl 3-(8-chloro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoate?
ethyl 3-(8-chloro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoate has a molecular weight of 333.78 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(8-chloro-1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoate is sourced from PubChem (CID 23206474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).