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1,2,3,3,8-Pentamethyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,2-g]quinolin-7(8H)-one - >98.0%(T)(HPLC), high purity , CAS No.58721-74-7
Basic Description
Synonyms
1,2,3,8-Tetrahydro-1,2,3,3,8-pentamethyl-5-(trifluoromethyl)-7H-pyrrolo[3,2-g]quinolin-7-one | DTXSID20886282 | CS-0086411 | 1,2,3,3,8-Pentamethyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrrolo[3,2-g]quinolin-7(8H)-one | EINECS 261-404-2 | 1,2,3,3,8-pentameth
Specifications & Purity
≥98%(HPLC)(T)
Product Description
Maximum Absorption Wavelength:388(EtOH)nm
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Pyrroloquinolines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrroloquinolines
Alternative Parents
Hydroquinolones Aminoquinolines and derivatives Hydroquinolines Indoles and derivatives Dialkylarylamines Pyridinones Aralkylamines Benzenoids Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrroloquinoline - Dihydroquinolone - Aminoquinoline - Dihydroquinoline - Indole or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aralkylamine - Pyridinone - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary amine - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrroloquinolines. These are compounds containing a pyrroloquinoline moiety, which consists of a pyrrole ring fused to a quinoline.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
1,2,3,3,8-pentamethyl-5-(trifluoromethyl)-2H-pyrrolo[3,2-g]quinolin-7-one
INCHI
InChI=1S/C17H19F3N2O/c1-9-16(2,3)12-6-10-11(17(18,19)20)7-15(23)22(5)13(10)8-14(12)21(9)4/h6-9H,1-5H3
InChIKey
IOUKYANHUBKAIN-UHFFFAOYSA-N
Smiles
CC1C(C2=C(N1C)C=C3C(=C2)C(=CC(=O)N3C)C(F)(F)F)(C)C
Isomeric SMILES
CC1C(C2=C(N1C)C=C3C(=C2)C(=CC(=O)N3C)C(F)(F)F)(C)C
PubChem CID
93886
Molecular Weight
324.35
Reaxy-Rn
7942109
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
324.340 g/mol
XLogP3
3.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
0
Exact Mass
324.145 Da
Monoisotopic Mass
324.145 Da
Topological Polar Surface Area
23.600 Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
555.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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