3-Amino-6-chloro-3,4-dihydro-4-phenylquinazolin-4-ol
Basic information
- CAS
27610-14-6- Standard SMILES
NN1C=Nc2ccc(Cl)cc2C1(O)c1ccccc1- InChIKey
ZAXFFQSOWYVGER-UHFFFAOYSA-N- Molecular formula
- C14H12ClN3O
- Average molar mass
- 273.72 g/mol
- Monoisotopic mass
- 273.0668897
Names & identifiers
- Preferred name
- 3-Amino-6-chloro-3,4-dihydro-4-phenylquinazolin-4-ol
- IUPAC
- 3-amino-6-chloro-4-phenylquinazolin-4-ol
- English name
- 3-amino-6-chloro-3,4-dihydro-4-phenylquinazolin-4-ol
- Molecular formula
- C14H12ClN3O
- Molecular weight
- 273.72
Names & synonyms
27610-14-63-amino-6-chloro-4-phenyl-3,4-dihydroquinazolin-4-ol3-Amino-6-chloro-3,4-dihydro-4-phenylquinazolin-4-ol3-amino-6-chloro-4-phenylquinazolin-4-ol3-amino-6-chloro-4-phenyl-3,4-dihydro-4-quinazolinolEINECS 248-569-6Alprazolam Impurity 4SCHEMBL116326154-Quinazolinol, 3-amino-6-chloro-3,4-dihydro-4-phenyl-DTXSID909502823-Amino-6-chloro-3,4-dihydro-4-hydroxy-4-phenylquinazolineNS00049526
Show more names
3-aminobenzenesAmino — incompleteEstazolam Impurity 43-Amino-6-chloro-3,4-dihydro-4-phenyl-4-quinazolinol
AK-830/13217184
Database identifiers
- CAS
27610-14-6- PubChem CID
- 119679
- DTXSID
DTXSID90950282- EC Number
- 248-569-6
- Nikkaji
- J29.048C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 61.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Boiling point
- 498.6 · 498.6±55.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- solubility
- Dimethylformamide, DMSO, Methanol
- pka
- 11.91 · 11.91±0.20(Predicted)
- form
- Solid
- color
- White
Chemistry & industry
Applications
Uses3-Amino-6-chloro-3,4-dihydro-4-phenyl-4-quinazolinol is an intermediate in the synthesis of 1-Chloroacetyl-2-[[(2-benzoyl-4-chlorophenyl)(2-chloroacetyl)amino]methylene]hydrazide (C363470). which is a derivative of 2-Amino-5-chlorobenzophenone (A603490); a metabolite of Diazepam (D416855) with a much weaker anticonvulsant effect.
Related reactions
6 records
Compound notes
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