DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 Listed Suppliers

1 API Suppliers
1 Listed Suppliers

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 81810-66-4, 2-cinnamoyl-3-methylquinoxaline 1,4-dioxide, (e)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-phenylprop-2-en-1-one, 85108-59-4, (e)-1-(3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-3-phenylprop-2-en-1-one, Nsc621477

Molecular Formula

C₁₈H₁₄N₂O₃

Molecular Weight

306.3 g/mol

InChI Key

IOKWXGMNRWVQHX-VAWYXSNFSA-N

1 2D Structure

Quinocetone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(E)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-phenylprop-2-en-1-one

2.1.2 InChI

InChI=1S/C18H14N2O3/c1-13-18(17(21)12-11-14-7-3-2-4-8-14)20(23)16-10-6-5-9-15(16)19(13)22/h2-12H,1H3/b12-11+

2.1.3 InChI Key

IOKWXGMNRWVQHX-VAWYXSNFSA-N

2.1.4 Canonical SMILES

CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC=CC=C3

2.1.5 Isomeric SMILES

CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)/C=C/C3=CC=CC=C3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 81810-66-4

2. 2-cinnamoyl-3-methylquinoxaline 1,4-dioxide

3. (e)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-phenylprop-2-en-1-one

4. 85108-59-4

5. (e)-1-(3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-3-phenylprop-2-en-1-one

6. Nsc621477

7. Chembl497740

8. Zinc5810831

9. Mfcd09753267

10. Akos015889503

11. Ccg-267535

12. Nsc-621477

13. As-16001

14. Quinocetone 100 Microg/ml In Acetonitrile

15. 2-cinnamoyl-3-methylquinoxaline1,4-dioxide

16. Hy-123581

17. Cs-0083565

18. D70399

19. 3-methyl-2-(3-phenyl-1-oxo-2-propenyl)quinoxaline 1,4-dioxide

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₄N₂O₃
Molecular Weight	306.3 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	306.10044231 g/mol
Monoisotopic Mass	306.10044231 g/mol
Topological Polar Surface Area	63.4 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	547
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1