ethyl 5-acetyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate

C15H15N3O3 — CID 127045356

IUPACethyl 5-acetyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1ncn2c1CN(C(C)=O)c1ccccc1-2
InChIInChI=1S/C15H15N3O3/c1-3-21-15(20)14-13-8-17(10(2)19)11-6-4-5-7-12(11)18(13)9-16-14/h4-7,9H,3,8H2,1-2H3
InChIKeyHPANTYJEWCAFLR-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.92
Rot. Bonds2

About ethyl 5-acetyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate

ethyl 5-acetyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate (PubChem CID 127045356) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is ethyl 5-acetyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
PubChem CID127045356
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Nameethyl 5-acetyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1ncn2c1CN(C(C)=O)c1ccccc1-2
InChIInChI=1S/C15H15N3O3/c1-3-21-15(20)14-13-8-17(10(2)19)11-6-4-5-7-12(11)18(13)9-16-14/h4-7,9H,3,8H2,1-2H3
InChIKeyHPANTYJEWCAFLR-UHFFFAOYSA-N
XLogP1.92
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 5-(phenylcarbamoyl)-1H-imidazole-4-carboxylate
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CID 25112197
ethyl 5,6-dihydro-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 21764316
Flumazenil C-11
CID 449752
Tert-butyl 10-oxo-2,4,11-triazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene-5-carboxylate
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tert-butyl 5-acetyl-7-fluoro-4H-imidazo[1,5-a]quinoxaline-3-carboxylate
CID 127045358
U 93631
CID 197626

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 5-acetyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate (CID 127045356) is ethyl 5-acetyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 5-acetyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 5-acetyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate is CCOC(=O)c1ncn2c1CN(C(C)=O)c1ccccc1-2.
What is the InChIKey of ethyl 5-acetyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
The InChIKey is HPANTYJEWCAFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-3-21-15(20)14-13-8-17(10(2)19)11-6-4-5-7-12(11)18(13)9-16-14/h4-7,9H,3,8H2,1-2H3.
What are the key properties of ethyl 5-acetyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate?
ethyl 5-acetyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-4H-imidazo[1,5-a]quinoxaline-3-carboxylate is sourced from PubChem (CID 127045356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).