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

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

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Related Compounds

ethyl (1-methyl-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl) carbonate
CID 23206472
ethyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 121014059
ethyl 3-[4-[(4-chlorophenyl)methyl]-3-oxoquinoxalin-2-yl]propanoate
CID 4640836
ethyl 3-[1-(4-amino-5,5-dimethyl-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-2-yl)-5-chloroindazol-3-yl]propanoate
CID 46223239
ethyl 6-(2-amino-6-chloroquinazolin-4-yl)hexanoate
CID 151140102
3-(8-chloro-2-methyl-4-oxo-5H-pyrrolo[1,2-a]quinoxalin-1-yl)propanal
CID 89151671
ethyl 4-(5-chloro-1H-indol-3-yl)butanoate
CID 18175108
(4-chlorophenyl)methyl 3-(3-oxo-4H-quinoxalin-2-yl)propanoate
CID 3158558
ethyl 3-[4-[(2R)-butan-2-yl]-2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]propanoate
CID 145024859
ethyl 3-(7-bromo-3-chloroquinoxalin-2-yl)propanoate
CID 175048880
ethyl 1-methyl-4-oxo-8-(1,2,4-triazol-1-yl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylate
CID 23295848
ethyl 3-[(7-chloro-3-nitro-2-oxo-1H-quinolin-4-yl)amino]propanoate
CID 10088592

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).