Basic information
- Standard SMILES
Cc1cccc(CCOCc2nc3ncccc3c(=O)[nH]2)c1- InChIKey
IFDGBCXIVKYXRU-UHFFFAOYSA-N- Molecular formula
- C17H17N3O2
- Average molar mass
- 295.34 g/mol
Names & identifiers
- Preferred name
- 2-(2-m-Tolyl-ethoxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
- IUPAC
- 2-[2-(3-methylphenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one
Names & synonyms
CHEMBL12242222-(2-m-Tolyl-ethoxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-oneSCHEMBL1871003IFDGBCXIVKYXRU-UHFFFAOYSA-NBDBM50325927
Database identifiers
- PubChem CID
- 136127017
- ChEMBL
CHEMBL1224222
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 424
Related reactions
1 records
Compound notes
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