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    CAS 148757-94-2

    PharmaCompass
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    2D Structure
    Also known as: 148757-94-2, 6-aminoquinolyl-n-hydroxysuccinimidyl carbamate, Aqc, (2,5-dioxopyrrolidin-1-yl) n-quinolin-6-ylcarbamate, 2,5-dioxo-1-pyrrolidinyl 6-quinolylcarbamate, 6-aminoquinoline n-succinimidyl ester
    Molecular Formula
    C14H11N3O4
    Molecular Weight
    285.25  g/mol
    InChI Key
    LINZYZMEBMKKIT-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2,5-dioxopyrrolidin-1-yl) N-quinolin-6-ylcarbamate
    2.1.2 InChI
    InChI=1S/C14H11N3O4/c18-12-5-6-13(19)17(12)21-14(20)16-10-3-4-11-9(8-10)2-1-7-15-11/h1-4,7-8H,5-6H2,(H,16,20)
    2.1.3 InChI Key
    LINZYZMEBMKKIT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC(=O)N(C1=O)OC(=O)NC2=CC3=C(C=C2)N=CC=C3
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 6-aminoquinolyl-n-hydroxysuccinimidyl Carbamate

    2. 6-aqhsc

    3. 6-n-aminoquinolyl-n-hydroxysuccinimidyl Carbamate

    4. Accq.fluor

    5. Aqc Compound

    2.2.2 Depositor-Supplied Synonyms

    1. 148757-94-2

    2. 6-aminoquinolyl-n-hydroxysuccinimidyl Carbamate

    3. Aqc

    4. (2,5-dioxopyrrolidin-1-yl) N-quinolin-6-ylcarbamate

    5. 2,5-dioxo-1-pyrrolidinyl 6-quinolylcarbamate

    6. 6-aminoquinoline N-succinimidyl Ester

    7. 2,5-dioxopyrrolidin-1-yl N-(quinolin-6-yl)carbamate

    8. 6-aminoquinolyl-n-hydroxysuccinimidyl Carbamate 90per Cent

    9. Schembl850424

    10. 2,5-pyrrolidinedione, 1-[[(6-quinolinylamino)carbonyl]oxy]-

    11. Mfcd01940654

    12. Zinc95696932

    13. Akos027323816

    14. As-71335

    15. Hy-117695

    16. 2,5-dioxo-1-pyrrolidinyl6-quinolylcarbamate

    17. Cs-0066881

    18. Ft-0620945

    19. F20660

    20. 6-aminoquinoline-n-hydroxy-succinimidyl Carbamate

    21. J-100019

    22. 1-[(6-quinolinylcarbamoyl)oxy]-2,5-pyrrolidinedione

    23. 1-[(quinolin-6-ylcarbamoyl)oxy]pyrrolidine-2,5-dione

    24. Carbamic Acid, N-6-quinolinyl-, 2,5-dioxo-1-pyrrolidinyl Ester

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 285.25 g/mol
    Molecular Formula C14H11N3O4
    XLogP31.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass285.07495584 g/mol
    Monoisotopic Mass285.07495584 g/mol
    Topological Polar Surface Area88.6 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity438
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Indicators and Reagents

    Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant and Hackh's Chemical Dictionary, 5th ed, p301, p499) (See all compounds classified as Indicators and Reagents.)