3-(4-((Tetrahydrofuran-2-Yl)Methylamino)Quinazolin-2-Ylamino)Phenol
Basic information
- CAS
797027-80-6- Standard SMILES
Oc1cccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)c1- InChIKey
PEQMTEMWXRAERG-UHFFFAOYSA-N- Molecular formula
- C19H20N4O2
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.15862589
Names & identifiers
- Preferred name
- 3-(4-((Tetrahydrofuran-2-Yl)Methylamino)Quinazolin-2-Ylamino)Phenol
- IUPAC
- 3-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol
Names & synonyms
797027-80-63-(4-((Tetrahydrofuran-2-yl)methylamino)quinazolin-2-ylamino)phenolRefChem:492364108-829-03-({4-[(oxolan-2-ylmethyl)amino]quinazolin-2-yl}amino)phenolGNF-Pf-20343-[[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]amino]phenol3-((4-(((Tetrahydrofuran-2-yl)methyl)amino)quinazolin-2-yl)amino)phenolMFCD05241002BAS 07396056TimTec1_007899CHEMBL532641
Show more names
HMS1556H01AKOS000642428IDI1_033553NCGC00073054-02NS-05530ST0754303-[(4-{[(oxolan-2-yl)methyl]amino}quinazolin-2-yl)amino]phenol3-[[4-(tetrahydrofuran-2-ylmethylamino)quinazolin-2-yl]amino]phenol
Database identifiers
- CAS
797027-80-6- PubChem CID
- 644989
- ChEMBL
CHEMBL532641- EC Number
- 108-829-0
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 424
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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