5-Fluoro-2-[(oxetan-3-ylmethyl)-amino]-quinazoline-7-carboxylic acid
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=C(O)c1cc(F)c2cnc(NCC3COC3)nc2c1- InChIKey
ZSOLNEAOVDOAPO-UHFFFAOYSA-N- Molecular formula
- C13H12FN3O3
- Average molar mass
- 277.25 g/mol
Names & identifiers
- Preferred name
- 5-Fluoro-2-[(oxetan-3-ylmethyl)-amino]-quinazoline-7-carboxylic acid
- IUPAC
- 5-fluoro-2-(oxetan-3-ylmethylamino)quinazoline-7-carboxylic acid
Names & synonyms
SCHEMBL14676971ZSOLNEAOVDOAPO-UHFFFAOYSA-N5-fluoro-2-[(oxetan-3-ylmethyl)-amino]-quinazoline-7-carboxylic acid
Database identifiers
- PubChem CID
- 71246992
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Related reactions
1 records
Compound notes
Loading…