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4-(5-Nitroquinolin-6-yl)cyclohexanol - 97%, high purity , CAS No.1150163-86-2
Basic Description
Synonyms
4-(5-NITROQUINOLIN-6-YL)CYCLOHEXANOL | 1150163-86-2 | 4-(5-nitroquinolin-6-yl)cyclohexan-1-ol | DTXSID90675069 | AWB16386 | MFCD12026011 | AKOS015833487 | SB68680 | BS-19368 | Cyclohexanol, 4-(5-nitro-6-quinolinyl)- | CS-0211469 | A894041
Specifications & Purity
≥97%
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
Nitroaromatic compounds Cyclohexanols Pyridines and derivatives Benzenoids Heteroaromatic compounds Cyclic alcohols and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitroquinoline - Nitroaromatic compound - Cyclohexanol - Pyridine - Benzenoid - Cyclic alcohol - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Secondary alcohol - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Alcohol - Organic zwitterion - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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
4-(5-nitroquinolin-6-yl)cyclohexan-1-ol
INCHI
InChI=1S/C15H16N2O3/c18-11-5-3-10(4-6-11)12-7-8-14-13(2-1-9-16-14)15(12)17(19)20/h1-2,7-11,18H,3-6H2
InChIKey
BNTXCDKSVPDJNE-UHFFFAOYSA-N
Smiles
C1CC(CCC1C2=C(C3=C(C=C2)N=CC=C3)[N+](=O)[O-])O
Isomeric SMILES
C1CC(CCC1C2=C(C3=C(C=C2)N=CC=C3)[N+](=O)[O-])O
PubChem CID
46739464
Molecular Weight
272.3
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
272.300 g/mol
XLogP3
2.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
272.116 Da
Monoisotopic Mass
272.116 Da
Topological Polar Surface Area
78.900 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
350.000
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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