Basic information
- CAS
15495-00-8- Standard SMILES
O=C1NC(c2ccncc2)Nc2ccccc21- InChIKey
WHSLICPSSNGCOM-UHFFFAOYSA-N- Molecular formula
- C13H11N3O
- Average molar mass
- 225.25 g/mol
- Monoisotopic mass
- 225.09021198
Overview
2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one is a member of quinazolines.
Names & identifiers
- Preferred name
- 2-Pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one
- IUPAC
- 2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one
- English name
- 2-(Pyridin-4-yl)-2,3-dihydroquinazolin-4(1H)-one
- Molecular formula
- C13H11N3O
- Molecular weight
- 225.25
Names & synonyms
15495-00-82-(pyridin-4-yl)-2,3-dihydroquinazolin-4(1H)-one2-Pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-oneC13H11N3O2-(4-Pyridyl)-2,3-dihydro-1H-quinazolin-4-one2-(pyridin-4-yl)-1,2,3,4-tetrahydroquinazolin-4-one2-(4-pyridyl)-1,2,3-trihydroquinazolin-4-one4856ADMFCD01147550BAS 00739655Oprea1_106653MLS000027887
Show more names
4(1H)-Quinazolinone, 2,3-dihydro-2-(4-pyridinyl)-
CHEMBL1527098DTXSID20349488CHEBI:122024HMS2303J18BBL029190SBB027360STL146782AKOS000301128
Database identifiers
- CAS
15495-00-8- PubChem CID
- 649783
- DTXSID
DTXSID20349488- ChEMBL
CHEMBL1527098- ChEBI
CHEBI:122024- Nikkaji
- J3.134.656H
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Physicochemical properties
- Melting point
- 175 · 175-177 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 535 · 535.0±50.0 °C(Predicted)
- Density
- 1.236 · 1.236±0.06 g/cm3(Predicted)
- pka
- 11 · 11+-.0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers2 total
吉林中科研伸科技有限公司18143011203 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Additional notes
DefinitionChEBI: 2-pyridin-4-yl-2,3-dihydro-1H-quinazolin-4-one is a member of quinazolines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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