EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	4K2NH2OBE9
EPA CompTox	DTXSID4062355

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

4K2NH2OBE9

EPA CompTox

DTXSID4062355


InChI Key	FKHNZQFCDGOQGV-UHFFFAOYSA-N
Smiles	Cc1nc2ccccc2nc1C
InChI	InChI=1S/C10H10N2/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h3-6H,1-2H3

InChI Key

FKHNZQFCDGOQGV-UHFFFAOYSA-N

Smiles

Cc1nc2ccccc2nc1C

InChI

InChI=1S/C10H10N2/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h3-6H,1-2H3

Property Name	Value
Molecular Formula	C10H10N2
Molecular Weight	158.08
AlogP	2.25
Hydrogen Bond Acceptor	2.0
Polar Surface Area	25.78
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H10N2

Molecular Weight

158.08

AlogP

2.25

Hydrogen Bond Acceptor

2.0

Polar Surface Area

25.78

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	2379-55-7
NORMAN SUSDAT
FDA SRS	4K2NH2OBE9
PubChem	16925
ChemSpider	16036.0

Resources

Reference

CAS NUMBER

2379-55-7

NORMAN SUSDAT

FDA SRS

4K2NH2OBE9

PubChem

16925

ChemSpider

16036.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

QUINOXALINE, 2,3-DIMETHYL-

Structure

Physicochemical Descriptors

Cross References