Lixazinone , CAS No.94192-59-3

CAS: 94192-59-3 Cat. No.: L669301 Formula: C₂₁H₂₈N₄O₃ Peso molecolare: 384.5

Synonyms

Lixazinone | Lixazinone [INN] | N-cyclohexyl-N-methyl-4-[(2-oxo-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide | 0FK7P66P1X | Imidazo[2,1-b]quinazoline, butanamide deriv. | N-Cyclohexyl-N-methyl-4-(2-oxo-1,2,3,5-tetrahydroimidazo(2,1-b)quina

Storage

Room temperature

Specifications

Sinonimi

Lixazinone | Lixazinone [INN] | N-cyclohexyl-N-methyl-4-[(2-oxo-5,10-dihydro-3H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide | 0FK7P66P1X | Imidazo[2,1-b]quinazoline, butanamide deriv. | N-Cyclohexyl-N-methyl-4-(2-oxo-1,2,3,5-tetrahydroimidazo(2,1-b)quina

Condizioni di conservazione di stoccaggio

Room temperature

Proprietà del prodotto

• ALogP: 1.9

Nomi e identificatori

• Sorrisi canonici: CN(C1CCCCC1)C(=O)CCCOC2=CC3=C(C=C2)N=C4NC(=O)CN4C3
• IUPAC Name: N-cyclohexyl-N-methyl-4-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)oxy]butanamide
• InChIKey: WUECXCBONAGRSA-UHFFFAOYSA-N
• INCHI: 1S/C21H28N4O3/c1-24(16-6-3-2-4-7-16)20(27)8-5-11-28-17-9-10-18-15(12-17)13-25-14-19(26)23-21(25)22-18/h9-10,12,16H,2-8,11,13-14H2,1H3,(H,22,23,26)
• Isomeri SMILES: CN(C1CCCCC1)C(=O)CCCOC2=CC3=C(C=C2)N=C4NC(=O)CN4C3
• Peso molecolare: 384.5
• Reaxy-Rn: 5457547
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5457547&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Alpha amino acids and derivatives Alkyl aryl ethers N-acyl amines Imidazolinones Benzenoids Tertiary carboxylic acid amides N-acylimines Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Quinazoline - Alkyl aryl ether - Imidazolinone - N-acyl-amine - Benzenoid - 2-imidazoline - Tertiary carboxylic acid amide - Carboxamide group - Guanidine - N-acylimine - Carboxylic acid derivative - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
• 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.

DOI: 10.1186/s13321-016-0174-y

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 384.500 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 384.216 Da
• Monoisotopic Mass: 384.216 Da
• Topological Polar Surface Area: 74.200 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 617.000
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 94192-59-3, the molecular formula is C21H28N4O3, and the molecular weight is 384.5 g/mol. InChIKey WUECXCBONAGRSA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.