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1-(6-(3-Hydroxypropyl)-3,4-dihydro-1,8-naphthyridin-1(2H)-yl)-2,2-dimethylpropan-1-one , CAS No.1222533-80-3
Discover 1-(6-(3-Hydroxypropyl)-3,4-dihydro-1,8-naphthyridin-1(2H)-yl)-2,2-dimethylpropan-1-one by Aladdin Scientific in for only $605.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1-(6-(3-Hydroxypropyl)-3,4-dihydro-1,8-naphthyridin-1(2H)-yl)-2,2-dimethylpropan-1-one | 1222533-80-3 | 1-[6-(3-hydroxypropyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,2-dimethylpropan-1-one | 1-[6-(3-Hydroxypropyl)-3,4-dihydro-1,8-naphthyridin-1(2H)-yl]-2,2-dim
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Naphthyridines
Intermediate Tree Nodes
Not available
Direct Parent
Naphthyridines
Alternative Parents
Pyridines and derivatives Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids and derivatives Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Naphthyridine - Pyridine - Imidolactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Carboxylic acid derivative - Azacycle - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Alcohol - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom.
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-[6-(3-hydroxypropyl)-3,4-dihydro-2H-1,8-naphthyridin-1-yl]-2,2-dimethylpropan-1-one
INCHI
InChI=1S/C16H24N2O2/c1-16(2,3)15(20)18-8-4-7-13-10-12(6-5-9-19)11-17-14(13)18/h10-11,19H,4-9H2,1-3H3
InChIKey
JCNMYQHMYZDUIR-UHFFFAOYSA-N
Smiles
CC(C)(C)C(=O)N1CCCC2=C1N=CC(=C2)CCCO
Isomeric SMILES
CC(C)(C)C(=O)N1CCCC2=C1N=CC(=C2)CCCO
PubChem CID
49761602
Molecular Weight
276.37
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
276.370 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
276.184 Da
Monoisotopic Mass
276.184 Da
Topological Polar Surface Area
53.400 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
338.000
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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