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Basic information
- Standard SMILES
CCc1ccc2c(c1)[nH]c(=O)c1cnc(CCC(=O)O)n12- InChIKey
PKAAQRQMANZTPV-UHFFFAOYSA-N- Molecular formula
- C15H15N3O3
- Average molar mass
- 285.3 g/mol
- Monoisotopic mass
- 285.11134135
Names & identifiers
- Preferred name
- 3-(7-Ethyl-4-oxo-4,5-dihydroimidazo[1,5-a]quinoxalin-1-yl)-propanoic acid
- IUPAC
- 3-(7-ethyl-4-oxo-5H-imidazo[1,5-a]quinoxalin-1-yl)propanoic acid
Names & synonyms
SCHEMBL3492257CHEMBL3676175PKAAQRQMANZTPV-UHFFFAOYSA-N3-(7-Ethyl-4-oxo-4,5-dihydroimidazo[1,5-a]quinoxalin-1-yl)-propanoic acid
Database identifiers
- PubChem CID
- 59198640
- ChEMBL
CHEMBL3676175
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 428
Related reactions
4 records
Compound notes
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