2-Chloro-10H-pyridazino(6,1-b)quinazolin-10-one
Basic information
- CAS
1702-98-3- Standard SMILES
O=c1c2ccccc2nc2ccc(Cl)nn12- InChIKey
HLPUHRDKWNPCCO-UHFFFAOYSA-N- Molecular formula
- C11H6ClN3O
- Average molar mass
- 231.64 g/mol
- Monoisotopic mass
- 231.0199395
Names & identifiers
- Preferred name
- 2-Chloro-10H-pyridazino(6,1-b)quinazolin-10-one
- IUPAC
- 2-chloropyridazino[6,1-b]quinazolin-10-one
- English name
- 2-Chloro-10H-pyridazino[6,1-b]quinazolin-10-one
- Molecular formula
- C11H6ClN3O
- Molecular weight
- 231.64
Names & synonyms
1702-98-32-chloro-10H-pyridazino[6,1-b]quinazolin-10-oneDTXSID409377452-Chloro-10H-pyridazino(6,1-b)quinazolin-10-oneRefChem:1062731DTXCID9013662982-Chloropyridazino[6,1-b]quinazolin-10-one2-chloro-10H-pyridazino[3,2-b]quinazolin-10-oneNSC939372-Chloropyridazino(3,2-b)quinazol-10-one2-Chloropyridazino(6,1-b)quinazolin-10-one10H-Pyridazino(6,1-b)quinazolin-10-one, 2-chloro-
Show more names
10H-Pyridazino[6,1-b]quinazolin-10-one, 2-chloro-2-Chloropyridazino[3,2-b]quinazol-10-oneNSC 93937BRN 0523937starbld0024847SCHEMBL810087710H-Pyridazino[6, 2-chloro-HLPUHRDKWNPCCO-UHFFFAOYSA-N
Database identifiers
- CAS
1702-98-3- PubChem CID
- 96928
- DTXSID
DTXSID40937745- Nikkaji
- J51.274E
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 45 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 427
Physicochemical properties
- Melting point
- 223 °C · 223 °C
- Boiling point
- 403.6 · 403.6±28.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- pka
- -3.24 · -3.24±0.20(Predicted)
Related reactions
8 records
Compound notes
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