7-isoquinolin-4-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
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Basic information
- Standard SMILES
c1ccc2c(-c3cnc4c(c3)NCCO4)cncc2c1- InChIKey
LGODAIQQSWVHNB-UHFFFAOYSA-N- Molecular formula
- C16H13N3O
- Average molar mass
- 263.29 g/mol
Names & identifiers
- Preferred name
- 7-isoquinolin-4-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
- IUPAC
- 7-isoquinolin-4-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
Names & synonyms
SCHEMBL1191286LGODAIQQSWVHNB-UHFFFAOYSA-N7-isoquinolin-4-yl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
Database identifiers
- PubChem CID
- 66936732
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Related reactions
4 records
Compound notes
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