2-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
Basic information
- CAS
6137-74-2- Standard SMILES
O=c1c2c(nc3cc(-c4cccc(F)c4)[nH]n13)CCCC2- InChIKey
QTXXFRBCUXHFBU-UHFFFAOYSA-N- Molecular formula
- C16H14FN3O
- Average molar mass
- 283.3 g/mol
- Monoisotopic mass
- 283.11209024
Names & identifiers
- Preferred name
- 2-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
- IUPAC
- 2-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
Names & synonyms
2-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one6137-74-22-(3-fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-olCBMicro_008669Oprea1_525024Oprea1_848644DTXSID20357149SMSF0014878AKOS000584332BIM-0008864.P001AG-690/154414392-(3-Fluorophenyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9(1H)-one
Database identifiers
- CAS
6137-74-2- PubChem CID
- 845862
- DTXSID
DTXSID20357149
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 578
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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