| Canonical Smiles | C1=CC=C(C=C1)OC(=O)NC2=CC3=CC=CC=C3N=C2 |
|---|---|
| IUPAC Name | phenyl N-quinolin-3-ylcarbamate |
| InChIKey | JQFIWELAGHWNIN-UHFFFAOYSA-N |
| INCHI | 1S/C16H12N2O2/c19-16(20-14-7-2-1-3-8-14)18-13-10-12-6-4-5-9-15(12)17-11-13/h1-11H,(H,18,19) |
| Molecular Weight | 264.280 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 | Phenoxy compounds Pyridines and derivatives Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinoline - Phenoxy compound - Monocyclic benzene moiety - Pyridine - Benzenoid - Carbamic acid ester - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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 | 264.280 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 264.09 Da |
| Monoisotopic Mass | 264.09 Da |
| Topological Polar Surface Area | 51.200 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 328.000 |
| 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 |
