| Canonical Smiles | C1=CC(=CC=C1OC2=C3C=CN=CC3=C(C=C2)N)F |
|---|---|
| IUPAC Name | 5-(4-fluorophenoxy)isoquinolin-8-amine |
| InChIKey | UGLMJPBIBIZJJZ-UHFFFAOYSA-N |
| INCHI | 1S/C15H11FN2O/c16-10-1-3-11(4-2-10)19-15-6-5-14(17)13-9-18-8-7-12(13)15/h1-9H,17H2 |
| Isomeric SMILES | C1=CC(=CC=C1OC2=C3C=CN=CC3=C(C=C2)N)F |
| PubChem CID | 43448876 |
| Molecular Weight | 254.25 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Quinolines and derivatives |
| Subclass | Aminoquinolines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminoquinolines and derivatives |
| Alternative Parents | Diarylethers Isoquinolines and derivatives Phenoxy compounds Phenol ethers Fluorobenzenes Pyridines and derivatives Aryl fluorides Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Aminoquinoline - Diaryl ether - Isoquinoline - Phenoxy compound - Phenol ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Ether - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Primary amine - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system. |
| External Descriptors | Not available |
| Molecular Weight | 254.260 g/mol |
|---|---|
| XLogP3 | 3.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 254.086 Da |
| Monoisotopic Mass | 254.086 Da |
| Topological Polar Surface Area | 48.100 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 294.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
