4-(2-ethoxyethoxy)imidazo[1,5-a]quinoxaline-3-carboxylic acid

C15H15N3O4 — CID 18007096

IUPAC4-(2-ethoxyethoxy)imidazo[1,5-a]quinoxaline-3-carboxylic acid
SMILESCCOCCOc1nc2ccccc2n2cnc(C(=O)O)c12
InChIInChI=1S/C15H15N3O4/c1-2-21-7-8-22-14-13-12(15(19)20)16-9-18(13)11-6-4-3-5-10(11)17-14/h3-6,9H,2,7-8H2,1H3,(H,19,20)
InChIKeyBUBVTFULDSJNEH-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.00
Rot. Bonds6

About 4-(2-ethoxyethoxy)imidazo[1,5-a]quinoxaline-3-carboxylic acid

4-(2-ethoxyethoxy)imidazo[1,5-a]quinoxaline-3-carboxylic acid (PubChem CID 18007096) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)imidazo[1,5-a]quinoxaline-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)imidazo[1,5-a]quinoxaline-3-carboxylic acid
PubChem CID18007096
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name4-(2-ethoxyethoxy)imidazo[1,5-a]quinoxaline-3-carboxylic acid
SMILESCCOCCOc1nc2ccccc2n2cnc(C(=O)O)c12
InChIInChI=1S/C15H15N3O4/c1-2-21-7-8-22-14-13-12(15(19)20)16-9-18(13)11-6-4-3-5-10(11)17-14/h3-6,9H,2,7-8H2,1H3,(H,19,20)
InChIKeyBUBVTFULDSJNEH-UHFFFAOYSA-N
XLogP2.00
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)imidazo[1,5-a]quinoxaline-3-carboxylic acid?
The IUPAC name of 4-(2-ethoxyethoxy)imidazo[1,5-a]quinoxaline-3-carboxylic acid (CID 18007096) is 4-(2-ethoxyethoxy)imidazo[1,5-a]quinoxaline-3-carboxylic acid.
What is the SMILES notation for 4-(2-ethoxyethoxy)imidazo[1,5-a]quinoxaline-3-carboxylic acid?
The canonical SMILES for 4-(2-ethoxyethoxy)imidazo[1,5-a]quinoxaline-3-carboxylic acid is CCOCCOc1nc2ccccc2n2cnc(C(=O)O)c12.
What is the InChIKey of 4-(2-ethoxyethoxy)imidazo[1,5-a]quinoxaline-3-carboxylic acid?
The InChIKey is BUBVTFULDSJNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-2-21-7-8-22-14-13-12(15(19)20)16-9-18(13)11-6-4-3-5-10(11)17-14/h3-6,9H,2,7-8H2,1H3,(H,19,20).
What are the key properties of 4-(2-ethoxyethoxy)imidazo[1,5-a]quinoxaline-3-carboxylic acid?
4-(2-ethoxyethoxy)imidazo[1,5-a]quinoxaline-3-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)imidazo[1,5-a]quinoxaline-3-carboxylic acid is sourced from PubChem (CID 18007096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).