| Canonical Smiles | B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC(=CC3=NC=C2)OC |
|---|---|
| IUPAC Name | 7-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline |
| InChIKey | WMOLQNJQKPQXEE-UHFFFAOYSA-N |
| INCHI | 1S/C16H20BNO3/c1-15(2)16(3,4)21-17(20-15)13-8-9-18-14-10-11(19-5)6-7-12(13)14/h6-10H,1-5H3 |
| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=C3C=CC(=CC3=NC=C2)OC |
| Molecular Weight | 285.1 |
| Reaxy-Rn | 38806714 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38806714&ln= |
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 | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Quinolines and derivatives |
| Alternative Parents | Anisoles Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organometalloid compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline - Anisole - Alkyl aryl ether - Pyridine - Benzenoid - Boronic acid ester - 1,3,2-dioxaborolane - Heteroaromatic compound - Boronic acid derivative - Ether - Organic metalloid salt - Azacycle - Oxacycle - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene. |
| External Descriptors | Not available |
| Molecular Weight | 285.100 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 285.154 Da |
| Monoisotopic Mass | 285.154 Da |
| Topological Polar Surface Area | 40.600 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 372.000 |
| 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 |
