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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

CAS 148757-94-2
1 2D Structure

CAS 148757-94-2

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.)


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