Basic information
- Standard SMILES
CCCCOC(=O)c1cc2c3ccccc3[nH]c(=O)n2n1- InChIKey
ZAYBDCSATOOGET-UHFFFAOYSA-N- Molecular formula
- C15H15N3O3
- Average molar mass
- 285.3 g/mol
- Monoisotopic mass
- 285.11134135
Names & identifiers
- Preferred name
- 5,6-Dihydro-5-oxopyrazolo[1,5-c]quinazoline-2-carboxylic acid, n-butyl ester
- IUPAC
- butyl 5-oxo-6H-pyrazolo[1,5-c]quinazoline-2-carboxylate
Names & synonyms
SCHEMBL11621948ZAYBDCSATOOGET-UHFFFAOYSA-N5,6-Dihydro-5-oxopyrazolo[1,5-c]-quinazoline-2-carboxylic acid, n-butyl ester5,6-Dihydro-5-oxopyrazolo[1,5-c]quinazoline-2-carboxylic acid, n-butyl ester
Database identifiers
- PubChem CID
- 136388396
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 415
Related reactions
4 records
Compound notes
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