Basic information
- Standard SMILES
CC(C)Oc1ccc2nc3ccc(CO)cn3c(=O)c2c1.O=C(O)c1ccccc1- InChIKey
OXUVDEGTBOXDCT-UHFFFAOYSA-N- Molecular formula
- C23H22N2O5
- Average molar mass
- 406.4 g/mol
- Monoisotopic mass
- 406.15287181
Names & identifiers
- Preferred name
- 8-hydroxymethyl-2-isopropoxy-11H-pyrido[2,1-b]quinazoline-11-one benzoate
- IUPAC
- benzoic acid;8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one
Names & synonyms
SCHEMBL11271905OXUVDEGTBOXDCT-UHFFFAOYSA-N8-hydroxymethyl-2-isopropoxy-11H-pyrido[2,1-b]quinazoline-11-one benzoate
Database identifiers
- PubChem CID
- 20525675
Properties
Computed structural properties
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 625
Related reactions
1 records
Compound notes
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