(+-)-5,6-Epoxy-5,6-dihydroquinoline
Basic information
- CAS
130536-37-7- Standard SMILES
C1=CC2OC2c2cccnc21- InChIKey
DUTMSHWTRSUNIF-UHFFFAOYSA-N- Molecular formula
- C9H7NO
- Average molar mass
- 145.16 g/mol
- Monoisotopic mass
- 145.05276385
Names & identifiers
- Preferred name
- (+-)-5,6-Epoxy-5,6-dihydroquinoline
- IUPAC
- 1a,7b-dihydrooxireno[2,3-f]quinoline
- English name
- (+-)-5,6-Epoxy-5,6-dihydroquinoline
- Molecular weight
- 0
Names & synonyms
Quinoline-5,6-oxide(+-)-5,6-Epoxy-5,6-dihydroquinolineCCRIS 4436130536-37-7RefChem:2036801a,7b-dihydrooxireno[2,3-f]quinoline(+/-)-5,6-EPOXY-5,6-DIHYDROQUINOLINEDTXSID10926787AKOS006279981NS00116063
Database identifiers
- CAS
130536-37-7- PubChem CID
- 148175
- DTXSID
DTXSID10926787
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 25.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- FDA UNII
- 43168592 Z1 · 43168592Z1
Chemistry & industry
Pharmacology
Metabolism/MetabolitesQ-8,6-epoxide is a known human metabolite of quinoline.
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Compound notes
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