ethyl 4-oxo-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxaline-3-carboxylate

C19H16N4O3 — CID 171343119

IUPACethyl 4-oxo-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1ncn2c1c(=O)n(Cc1cccnc1)c1ccccc12
InChIInChI=1S/C19H16N4O3/c1-2-26-19(25)16-17-18(24)22(11-13-6-5-9-20-10-13)14-7-3-4-8-15(14)23(17)12-21-16/h3-10,12H,2,11H2,1H3
InChIKeyBFKIZTLCAFUHPD-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.27
Rot. Bonds4

About ethyl 4-oxo-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxaline-3-carboxylate

ethyl 4-oxo-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxaline-3-carboxylate (PubChem CID 171343119) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is ethyl 4-oxo-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxaline-3-carboxylate
PubChem CID171343119
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Nameethyl 4-oxo-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1ncn2c1c(=O)n(Cc1cccnc1)c1ccccc12
InChIInChI=1S/C19H16N4O3/c1-2-26-19(25)16-17-18(24)22(11-13-6-5-9-20-10-13)14-7-3-4-8-15(14)23(17)12-21-16/h3-10,12H,2,11H2,1H3
InChIKeyBFKIZTLCAFUHPD-UHFFFAOYSA-N
XLogP2.27
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-oxo-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxaline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 4-oxo-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxaline-3-carboxylate (CID 171343119) is ethyl 4-oxo-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 4-oxo-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 4-oxo-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxaline-3-carboxylate is CCOC(=O)c1ncn2c1c(=O)n(Cc1cccnc1)c1ccccc12.
What is the InChIKey of ethyl 4-oxo-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxaline-3-carboxylate?
The InChIKey is BFKIZTLCAFUHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-2-26-19(25)16-17-18(24)22(11-13-6-5-9-20-10-13)14-7-3-4-8-15(14)23(17)12-21-16/h3-10,12H,2,11H2,1H3.
What are the key properties of ethyl 4-oxo-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxaline-3-carboxylate?
ethyl 4-oxo-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxaline-3-carboxylate has a molecular weight of 348.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-5-(pyridin-3-ylmethyl)imidazo[1,5-a]quinoxaline-3-carboxylate is sourced from PubChem (CID 171343119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).