Basic information
- Standard SMILES
C=Cn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21.Cl- InChIKey
NQUXKBNPSFAQIV-UHFFFAOYSA-N- Molecular formula
- C14H16ClN5O3
- Average molar mass
- 337.76 g/mol
Names & identifiers
- Preferred name
- 5,8-Dihydro-2-(1-piperazinyl)-8-vinyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid hydrochloride
- IUPAC
- 8-ethenyl-5-oxo-2-piperazin-1-ylpyrido[2,3-d]pyrimidine-6-carboxylic acid;hydrochloride
Names & synonyms
SCHEMBL11871599NQUXKBNPSFAQIV-UHFFFAOYSA-N5,8-Dihydro-2-(1-piperazinyl)-8-vinyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid hydrochloride
Database identifiers
- PubChem CID
- 12379021
Properties
Computed structural properties
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 515
Related reactions
1 records
Compound notes
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