Basic information
- Standard SMILES
CC(C)Oc1ccc2nc3ccc(C#N)cn3c(=O)c2c1- InChIKey
FDQQXYSGXXLACX-UHFFFAOYSA-N- Molecular formula
- C16H13N3O2
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.10077667
Names & identifiers
- Preferred name
- 8-cyano-2-isopropoxy-11-oxo-11H-pyrido[2,1-b]quinazoline
- IUPAC
- 11-oxo-2-propan-2-yloxypyrido[2,1-b]quinazoline-8-carbonitrile
Names & synonyms
SCHEMBL11269015FDQQXYSGXXLACX-UHFFFAOYSA-N8-cyano-2-isopropoxy-11-oxo-11H-pyrido[2,1-b]quinazoline
Database identifiers
- PubChem CID
- 13052297
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 594
Related reactions
1 records
Compound notes
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