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1-(5-Nitroquinolin-8-yl)piperidin-4-ol - 98%, high purity , CAS No.1133115-76-0
Discover 1-(5-Nitroquinolin-8-yl)piperidin-4-ol by Aladdin Scientific in 98% for only $1,175.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1-(5-Nitroquinolin-8-yl)piperidin-4-ol | 1133115-76-0 | DTXSID80674884 | SMSSF-0625119 | MFCD11855893 | AKOS008460734 | AMS_CNC_ID-245490753 | SB43254 | BS-25685 | CS-0212334 | A894421
Specifications & Purity
≥98%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Nitroquinolines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Nitroquinolines and derivatives
Alternative Parents
Aminoquinolines and derivatives Nitroaromatic compounds Dialkylarylamines Pyridines and derivatives Piperidines Benzenoids Heteroaromatic compounds Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitroquinoline - Aminoquinoline - Nitroaromatic compound - Dialkylarylamine - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Secondary alcohol - Tertiary amine - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxide - Organic salt - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitroquinolines and derivatives. These are compounds containing a nitro group attached to a quinoline moiety.
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-(5-nitroquinolin-8-yl)piperidin-4-ol
INCHI
InChI=1S/C14H15N3O3/c18-10-5-8-16(9-6-10)13-4-3-12(17(19)20)11-2-1-7-15-14(11)13/h1-4,7,10,18H,5-6,8-9H2
InChIKey
ROLSKNAOHRRYNI-UHFFFAOYSA-N
Smiles
C1CN(CCC1O)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3
Isomeric SMILES
C1CN(CCC1O)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=N3
PubChem CID
46739262
Molecular Weight
273.3
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
273.290 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
1
Exact Mass
273.111 Da
Monoisotopic Mass
273.111 Da
Topological Polar Surface Area
82.200 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
352.000
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
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