L 696229
Basic information
- CAS
135525-71-2- Standard SMILES
CCc1cc(CCc2nc3ccccc3o2)c(=O)[nH]c1C- InChIKey
MHUVLRNBDLFMHQ-UHFFFAOYSA-N- Molecular formula
- C17H18N2O2
- Average molar mass
- 282.34 g/mol
- Monoisotopic mass
- 282.13682782
Overview
inhibits HIV type 1 reverse transcriptase; structure given in first source
Names & identifiers
- Preferred name
- L 696229
- IUPAC
- 3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methyl-1H-pyridin-2-one
- English name
- L 696229
- Molecular formula
- C17H18N2O2
- Molecular weight
- 282.34
Names & synonyms
135525-71-2L-696229L 696229L-696,229I3C7FZT2V8DTXSID901594502(1H)-Pyridinone, 3-(2-(2-benzoxazolyl)ethyl)-5-ethyl-6-methyl-RefChem:924333DTXCID80819413-(2-(Benzoxazol-2-yl)ethyl)-5-ethyl-6-methylpyridin-2(1H)-one3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methyl-1H-pyridin-2-one3-[2-(Benzoxazol-2-yl)ethyl]-5-ethyl-6-methyl-pyridin-2(1H)-one
Show more names
229L696L 696L-6963-[2-(2-benzoxazolyl)ethyl]-5-ethyl-6-methyl-2(1H)-Pyridinone5-Ethyl-6-methyl-3-[2-(benzoxazol-2-yl)ethyl]pyridin-2(1H)-one3-[2-(Benzoxazol-2-yl)ethyl]-5-ethyl-6-methylpyridin-2(1H)-one2(1H)-Pyridinone, 3-[2-(2-benzoxazolyl)ethyl]-5-ethyl-6-methyl-
CHEMBL836223-(2-(Benzo[d]oxazol-2-yl)ethyl)-5-ethyl-6-methylpyridin-2(1H)-oneMHUVLRNBDLFMHQ-UHFFFAOYSA-NPyridinone deriv. 7UNII-I3C7FZT2V8BDBM2215orb1700201SCHEMBL5573693
Database identifiers
- CAS
135525-71-2- PubChem CID
- 72352
- DTXSID
DTXSID90159450- ChEMBL
CHEMBL83622- UNII
- I3C7FZT2V8
- Nikkaji
- J425.113J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Boiling point
- 496.5 · 496.5±37.0 °C(Predicted)
- Density
- 1.149 · 1.149±0.06 g/cm3(Predicted)
- pka
- 12.77 · 12.77±0.10(Predicted)
- FDA UNII
- 3 C7FZT2V8 · I3C7FZT2V8
Chemistry & industry
Applications
UsesL 696229 is a specific inhibitor ofhuman immunodeficiency virus type 1 (HIV-1)reverse transcriptase (RT) activity that possesses antiviral activity[1].
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Related reactions
7 records
Compound notes
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