11-Oxo-11H-pyrido(2,1-b)quinazoline-2-carboxylic acid
Basic information
- CAS
64019-03-0- Standard SMILES
O=C(O)c1ccc2nc3ccccn3c(=O)c2c1- InChIKey
HMZDSBSMNLBGIW-UHFFFAOYSA-N- Molecular formula
- C13H8N2O3
- Average molar mass
- 240.21 g/mol
- Monoisotopic mass
- 240.05349212
Overview
Doqualast is a small molecule drug. Doqualast has a monoisotopic molecular weight of 240.05 Da.
Names & identifiers
- Preferred name
- 11-Oxo-11H-pyrido(2,1-b)quinazoline-2-carboxylic acid
- IUPAC
- 11-oxopyrido[2,1-b]quinazoline-2-carboxylic acid
- English name
- Doqualast
- Molecular formula
- C13H8N2O3
- Molecular weight
- 240.21
Names & synonyms
Doqualast64019-03-0DocualastDoqualastumDTXSID80214002N8F510M76F11-Oxo-11H-pyrido(2,1-b)quinazoline-2-carboxylic acid11-Oxo-11H-pyrido[2,1-b]quinazoline-2-carboxylic acidSM-857RefChem:135655DTXCID40136493Doqualast [INN]
Show more names
Sm-857SEDogualast11H-Pyrido[2,1-b]quinazoline-2-carboxylic acid, 11-oxo-
11-oxopyrido[2,1-b]quinazoline-2-carboxylic acidDocualast [Spanish]Doqualastum [Latin]SM 857SM 857SESM 857 SEBRN 0750153UNII-N8F510M76F
Database identifiers
- CAS
64019-03-0- PubChem CID
- 68830
- DTXSID
DTXSID80214002- ChEMBL
CHEMBL172498- UNII
- N8F510M76F
- Nikkaji
- J33.092B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 492
Physicochemical properties
- Melting point
- 354 °C · 354 °C
- Boiling point
- 524.4 · 524.4±52.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 4 · 4.00±0.20(Predicted)
- FDA UNII
- 8 F510M76F · N8F510M76F
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Related reactions
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Compound notes
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